Crystal structure analysis for chemists and biologists:
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
New York, NY u.a.
VCH
1994
|
| Series: | Methods in stereochemical analysis
|
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | XVII, 854 S. Ill., graph. Darst. |
| ISBN: | 0895732734 |
Staff View
MARC
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| 100 | 1 | |a Glusker, Jenny P. |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Crystal structure analysis for chemists and biologists |c Jenny P. Glusker with Mitchell Lewis, Miriam Rossi |
| 264 | 1 | |a New York, NY u.a. |b VCH |c 1994 | |
| 300 | |a XVII, 854 S. |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 490 | 0 | |a Methods in stereochemical analysis | |
| 650 | 7 | |a Engenharia quimica |2 larpcal | |
| 650 | 7 | |a Kristallografie |2 gtt | |
| 650 | 7 | |a Kristalstructuur |2 gtt | |
| 650 | 4 | |a Radiocristallographie | |
| 650 | 4 | |a X-ray crystallography | |
| 650 | 0 | 7 | |a Chemie |0 (DE-588)4009816-3 |2 gnd |9 rswk-swf |
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| 700 | 1 | |a Lewis, Mitchell |e Verfasser |4 aut | |
| 700 | 1 | |a Rossi, Miriam |e Verfasser |4 aut | |
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Record in the Search Index
| _version_ | 1807684200278523904 |
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| adam_text |
CONTENTS
1.
INTRODUCTION
TO
CRYSTAL
STRUCTURE
ANALYSIS
1
1.1
HOW
CAN
WE
"
SEE
"
ATOMS?
1
1.2
DIFFRACTION
OF
LIGHT
8
1.3
DIFFRACTION
OF
X
RAYS
BY
CRYSTALS
10
1.4
USE
OF
X-RAY
DIFFRACTION
TO
FIND
ATOMIC
ARRANGEMENTS
12
SUMMARY
22
GLOSSARY
24
REFERENCES
25
2.
CRYSTALS
33
2.1
VISUALIZING
THE
INTERNAL
REGULARITY
OF
CRYSTALS
33
2.2
THE
UNIT
CELL
38
2.3
THE
PROCESS
OF
CRYSTAL
GROWTH
40
2.4
GROWING
CRYSTALS
FROM
SOLUTION:
SOME
PRACTICAL
ADVICE
46
2.5
THE
SHAPES
OF
CRYSTALS
51
2.6
THE
CRYSTAL
LATTICE:
A
MATHEMATICAL
CONCEPT
61
SUMMARY
64
GLOSSARY
64
REFERENCES
68
3.
DIFFRACTION
BY
CRYSTALS
73
3.1
OBTAINING
A
MAGNIFIED
IMAGE:
THE
MICROSCOPE
73
3.2
LIGHT
AND
X
RAYS
AS
WAVE
MOTIONS
74
3.3
DIFFRACTION
OF
X
RAYS
BY
ATOMS
IN
CRYSTALS
81
3.4
THE
RECIPROCAL
LATTICE
89
3.5
THE
EWALD
SPHERE
97
SUMMARY
99
GLOSSARY
100
REFERENCES
102
XIV
CONTENTS
4.
SYMMETRY
IN
CRYSTALS
AND
THEIR
DIFFRACTION
PATTERNS
105
4.1
SYMMETRIES
OF
ISOLATED
OBJECTS
108
4.2
SYMMETRIES
OF
REGULARLY
REPEATING
OBJECTS
118
4.3
SYMMETRY
IN
THE
DIFFRACTION
PATTERN
128
4.4
SPACE
GROUP
DETERMINATION
FROM
DIFFRACTION
PATTERNS
130
SUMMARY
136
GLOSSARY
136
REFERENCES
138
5.
PHYSICAL
PROPERTIES
OF
CRYSTALS
143
5.1
MECHANICAL
PROPERTIES
OF
CRYSTALS
143
5.2
OPTICAL
PROPERTIES
THAT
INDICATE
SYMMETRY
IN
A
CRYSTAL
145
5.3
ELECTRICAL
AND
MAGNETIC
EFFECTS
IN
CRYSTALS
168
SUMMARY
175
GLOSSARY
176
REFERENCES
178
6.
COMBINING
WAVES
TO
OBTAIN
AN
IMAGE
185
6.1
DESCRIPTIONS
OF
WAVES
185
6.2
THE
USE
OF
FOURIER
SERIES
191
6.3
IMAGE
FORMATION
BY
AN
OPTICAL
MICROSCOPE
192
6.4
FORMATION
OF
AN
IMAGE
BY
X-RAY
DIFFRACTION
195
6.5
FOURIER
TRANSFORMS
(BETWEEN
CRYSTAL
AND
DIFFRACTION
SPACE)
201
6.6
MODIFICATIONS
OF
THE
DIFFRACTION
PATTERN
209
SUMMARY
220
GLOSSARY
220
REFERENCES
223
7.
MEASUREMENT
OF
STRUCTURE
AMPLITUDES
225
7.1
THE
INTENSITY
FORMULA
FOR
DIFFRACTED
X
RAYS
226
7.2
SOURCES
OF
X
RAYS
230
7.3
PREPARING
A
CRYSTAL
FOR
DIFFRACTION
STUDIES
236
7.4
SMALL-MOLECULE
STUDIES
BY
AUTOMATED
DIFFRACTOMETRY
251
7.5
DIFFRACTION
BY
PROTEINS
AND
OTHER
MACROMOLECULES
255
7.6
CONVERTING
MEASURED
SIN
0
VALUES
TO
UNIT
CELL
DIMENSIONS
257
7.7
CONVERTING
I(HKL)
TO
|F
(HKL)
P
261
SUMMARY
265
GLOSSARY
267
REFERENCES
271
CONTENTS
8.
ESTIMATION
OF
RELATIVE
PHASE
ANGLES
281
8.1
DETERMINATION
OF
A
PHASE
ANGLE
284
8.2
DIRECT
METHODS
OF
RELATIVE
PHASE
DETERMINATION
285
8.3
PATTERSON
METHODS
301
8.4
ISOMORPHOUS
REPLACEMENT
METHOD
318
8.5
MULTIPLE
BRAGG
DIFFRACTION
327
8.6
EFFECTS
OF
CHOICES
OF
UNIT
CELL
ORIGIN
328
SUMMARY
331
GLOSSARY
333
REFERENCES
336
9.
ELECTRON-DENSITY
MAPS
345
9.1
CALCULATIONS
OF
ELECTRON-DENSITY
MAPS
346
9.2
THE
RESOLUTION
OF
AN
ELECTRON-DENSITY
MAP
363
9.3
THE
INTERPRETATION
OF
ELECTRON-DENSITY
MAPS
369
9.4
IMPROVING
ELECTRON-DENSITY
MAPS
371
9.5
LIGAND
BINDING
IN
PROTEIN
CRYSTAL
STRUCTURES
373
9.6
DEFORMATION
DENSITY
MAPS
374
9.7
THE
IMPORTANCE
OF
HAVING
THE
CORRECT
PHASE
INFORMATION
SUMMARY
380
GLOSSARY
380
REFRENCES
381
10.
LEAST-SQUARES
REFINEMENT
OF
THE
STRUCTURE
10.1
PRECISION
AND
ACCURACY
390
10.2
THE
METHOD
OF
LEAST
SQUARES
392
10.3
REFINEMENT
BY
SIMULATED
ANNEALING
405
10.4
ESTIMATED
STANDARD
DEVIATIONS
406
SUMMARY
406
GLOSSARY
408
REFERENCES
410
11.
INTERPRETING
X,
Y,
AND
Z
(ATOMIC
COORDINATES)
XV
377
389
413
11.1
HOW
TO
CALCULATE
MOLECULAR
GEOMETRY
413
11.2
LIMITATIONS:
PRECISION
AND
ITS
ASSESSMENT
429
11.3
REPRESENTATIONS
OF
STRUCTURAL
RESULTS
432
11.4
WHAT
CAN
BE
LEARNED
FROM
A
CRYSTAL
STRUCTURE?
434
SUMMARY
447
GLOSSARY
447
REFERENCES
448
XVI
CONTENTS
12.
CONFORMATION
455
12.1
TORSION
ANGLES:
WHAT
ARE
THEY?
456
12.2
MACROMOLECULAR
CONFORMATION
477
SUMMARY
508
GLOSSARY
510
REFERENCES
515
13.
ATOMIC
AND
MOLECULAR
DISPLACEMENTS
523
13.1
VIBRATION
EFFECTS
IN
CRYSTALS
527
13.2
REPRESENTATIONS
OF
DISPLACEMENT
PARAMETERS
532
13.3
MOTION
IN
PROTEINS
544
13.4
EFFECTS
OF
DISPLACEMENTS
ON
MOLECULAR
GEOMETRY
548
13.5
USES
OF
ANISOTROPIC
DISPLACEMENT
PARAMETERS
550
13.6
MOLECULAR
DYNAMICS
OF
POLYPEPTIDES
AND
PROTEINS
562
SUMMARY
562
GLOSSARY
563
REFERENCES
565
14.
CHIRALITY
AND
ABSOLUTE
STRUCTURE
573
14.1
CHIRALITY
OF
MOLECULES
575
14.2
OPTICAL
ACTIVITY
AND
CHIRAL
MOLECULES
584
14.3
ANOMALOUS
DISPERSION
MEASUREMENTS
592
14.4
USES
OF
ANOMALOUS
DISPERSION
610
SUMMARY
614
GLOSSARY
615
REFERENCES
617
15.
PACKING
IN
CRYSTALS
627
15.1
FORCES
HOLDING
CRYSTALS
TOGETHER
627
15.2
TWO
OR
MORE
SPECIES
IN
THE
SAME
CRYSTAL
648
15.3
POLYMORPHISM
656
15.4
PHASE
CHANGES
AND
TRANSITIONS
660
15.5
VARIATIONS
FROM
TRUE
CRYSTALLINITY
661
15.6
MACROMOLECULAR
ASSEMBLY
666
SUMMARY
674
GLOSSARY
674
REFERENCES
676
CONTENTS
XVII
16.
COMPARISONS
OF
STRUCTURES
689
16.1
CRYSTALLOGRAPHIC
DATABASES
AND
THEIR
USES
692
16.2
SOME
METHODS
FOR
COMPARING
STRUCTURES
701
16.3
EXAMPLES
OF
CLUSTER
AND
FACTOR
ANALYSES
709
SUMMARY
721
GLOSSARY
722
REFERENCES
723
17.
RECOGNITION
AND
RECEPTORS
731
17.1
SURROUNDINGS
OF
FUNCTIONAL
GROUPS
731
17.2
ELECTROSTATIC
POTENTIALS
746
17.3
SURFACE
RECOGNITION
AND
CHIRALITY
748
17.4
IONOPHORES
AND
OTHER
METAL-BINDING
MOLECULES
751
17.5
DRUG-PROTEIN
AND
DRUG-NUCLEIC
ACID
INTERACTIONS
758
SUMMARY
772
GLOSSARY
772
REFERENCES
773
18.
STRUCTURE-ACTIVITY
RESULTS
783
18.1
SOLID-STATE
REACTIONS
783
18.2
REACTIONS
OF
CRYSTAL
SURFACES
WITH
GASES
790
18.3
INFERENCES
ON
CHEMICAL
REACTIONS
792
18.4
PROTEIN-CATALYZED
REACTIONS
799
18.5
MONITORING
CHEMICAL
REACTIONS
BY
DIFFRACTION
804
18.6
CONCLUDING
REMARKS
813
SUMMARY
813
GLOSSARY
815
REFERENCES
815
APPENDIX
823
GLOSSARY
825
INDEX
831 |
| any_adam_object | 1 |
| author | Glusker, Jenny P. Lewis, Mitchell Rossi, Miriam |
| author_facet | Glusker, Jenny P. Lewis, Mitchell Rossi, Miriam |
| author_role | aut aut aut |
| author_sort | Glusker, Jenny P. |
| author_variant | j p g jp jpg m l ml m r mr |
| building | Verbundindex |
| bvnumber | BV009895815 |
| callnumber-first | Q - Science |
| callnumber-label | QD945 |
| callnumber-raw | QD945 |
| callnumber-search | QD945 |
| callnumber-sort | QD 3945 |
| callnumber-subject | QD - Chemistry |
| classification_rvk | UQ 5600 VE 9500 VG 9900 WC 2000 |
| classification_tum | GEO 425f CHE 806f CHE 617f CHE 312f GEO 424f |
| ctrlnum | (OCoLC)25412161 (DE-599)BVBBV009895815 |
| dewey-full | 548/.83 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 548 - Crystallography |
| dewey-raw | 548/.83 |
| dewey-search | 548/.83 |
| dewey-sort | 3548 283 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Geowissenschaften Physik Biologie Chemie |
| format | Book |
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| id | DE-604.BV009895815 |
| illustrated | Illustrated |
| indexdate | 2024-08-18T00:46:31Z |
| institution | BVB |
| isbn | 0895732734 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-006552993 |
| oclc_num | 25412161 |
| open_access_boolean | |
| owner | DE-355 DE-BY-UBR DE-29T DE-703 DE-91G DE-BY-TUM DE-1046 DE-19 DE-BY-UBM DE-634 DE-83 DE-188 |
| owner_facet | DE-355 DE-BY-UBR DE-29T DE-703 DE-91G DE-BY-TUM DE-1046 DE-19 DE-BY-UBM DE-634 DE-83 DE-188 |
| physical | XVII, 854 S. Ill., graph. Darst. |
| publishDate | 1994 |
| publishDateSearch | 1994 |
| publishDateSort | 1994 |
| publisher | VCH |
| record_format | marc |
| series2 | Methods in stereochemical analysis |
| spelling | Glusker, Jenny P. Verfasser aut Crystal structure analysis for chemists and biologists Jenny P. Glusker with Mitchell Lewis, Miriam Rossi New York, NY u.a. VCH 1994 XVII, 854 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Methods in stereochemical analysis Engenharia quimica larpcal Kristallografie gtt Kristalstructuur gtt Radiocristallographie X-ray crystallography Chemie (DE-588)4009816-3 gnd rswk-swf Röntgenkristallographie (DE-588)4178310-4 gnd rswk-swf Röntgenstrukturanalyse (DE-588)4137203-7 gnd rswk-swf Kristallstrukturanalyse (DE-588)4137204-9 gnd rswk-swf Kristallstrukturanalyse (DE-588)4137204-9 s DE-604 Röntgenstrukturanalyse (DE-588)4137203-7 s Röntgenkristallographie (DE-588)4178310-4 s Chemie (DE-588)4009816-3 s Lewis, Mitchell Verfasser aut Rossi, Miriam Verfasser aut DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=006552993&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Glusker, Jenny P. Lewis, Mitchell Rossi, Miriam Crystal structure analysis for chemists and biologists Engenharia quimica larpcal Kristallografie gtt Kristalstructuur gtt Radiocristallographie X-ray crystallography Chemie (DE-588)4009816-3 gnd Röntgenkristallographie (DE-588)4178310-4 gnd Röntgenstrukturanalyse (DE-588)4137203-7 gnd Kristallstrukturanalyse (DE-588)4137204-9 gnd |
| subject_GND | (DE-588)4009816-3 (DE-588)4178310-4 (DE-588)4137203-7 (DE-588)4137204-9 |
| title | Crystal structure analysis for chemists and biologists |
| title_auth | Crystal structure analysis for chemists and biologists |
| title_exact_search | Crystal structure analysis for chemists and biologists |
| title_full | Crystal structure analysis for chemists and biologists Jenny P. Glusker with Mitchell Lewis, Miriam Rossi |
| title_fullStr | Crystal structure analysis for chemists and biologists Jenny P. Glusker with Mitchell Lewis, Miriam Rossi |
| title_full_unstemmed | Crystal structure analysis for chemists and biologists Jenny P. Glusker with Mitchell Lewis, Miriam Rossi |
| title_short | Crystal structure analysis for chemists and biologists |
| title_sort | crystal structure analysis for chemists and biologists |
| topic | Engenharia quimica larpcal Kristallografie gtt Kristalstructuur gtt Radiocristallographie X-ray crystallography Chemie (DE-588)4009816-3 gnd Röntgenkristallographie (DE-588)4178310-4 gnd Röntgenstrukturanalyse (DE-588)4137203-7 gnd Kristallstrukturanalyse (DE-588)4137204-9 gnd |
| topic_facet | Engenharia quimica Kristallografie Kristalstructuur Radiocristallographie X-ray crystallography Chemie Röntgenkristallographie Röntgenstrukturanalyse Kristallstrukturanalyse |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=006552993&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT gluskerjennyp crystalstructureanalysisforchemistsandbiologists AT lewismitchell crystalstructureanalysisforchemistsandbiologists AT rossimiriam crystalstructureanalysisforchemistsandbiologists |