|
International Tables for Crystallography (2006). Vol. F. ch. 9.1, pp. 177-195
https://doi.org/10.1107/97809553602060000671 |
Chapter 9.1. Principles of monochromatic data collection
Contents
- 9.1. Principles of monochromatic data collection (pp. 177-195) | html | pdf | chapter contents |
- 9.1.1. Introduction (p. 177) | html | pdf |
- 9.1.2. The components of a monochromatic X-ray experiment (p. 177) | html | pdf |
- 9.1.3. Data completeness (p. 177) | html | pdf |
- 9.1.4. X-ray sources (pp. 177-178) | html | pdf |
- 9.1.5. Goniostat geometry (pp. 178-179) | html | pdf |
- 9.1.6. Basis of the rotation method (pp. 179-183) | html | pdf |
- 9.1.6.1. Rotation geometry (p. 179) | html | pdf |
- 9.1.6.2. Diffraction pattern at a single orientation: the `still' image (pp. 179-180) | html | pdf |
- 9.1.6.3. Rocking curve: crystal mosaicity and beam divergence (p. 180) | html | pdf |
- 9.1.6.4. Rotation images and lunes (pp. 180-181) | html | pdf |
- 9.1.6.5. Partially and fully recorded reflections (p. 181) | html | pdf |
- 9.1.6.6. The width of the rotation range per image: fine φ slicing (pp. 181-182) | html | pdf |
- 9.1.6.7. Wide slicing (pp. 182-183) | html | pdf |
- 9.1.6.8. The Weissenberg camera (p. 183) | html | pdf |
- 9.1.7. Rotation method: geometrical completeness (pp. 183-188) | html | pdf |
- 9.1.8. Crystal-to-detector distance (p. 188) | html | pdf |
- 9.1.9. Wavelength (pp. 188-189) | html | pdf |
- 9.1.10. Lysozyme as an example (pp. 189-190) | html | pdf |
- 9.1.11. Rotation method: qualitative factors (pp. 190-191) | html | pdf |
- 9.1.12. Radiation damage (pp. 191-192) | html | pdf |
- 9.1.13. Relating data collection to the problem in hand (pp. 192-194) | html | pdf |
- 9.1.13.1. Isomorphous-anomalous derivatives (pp. 192-193) | html | pdf |
- 9.1.13.2. Anomalous scattering, MAD and SAD (p. 193) | html | pdf |
- 9.1.13.3. Molecular replacement (p. 193) | html | pdf |
- 9.1.13.4. Definitive data on relevant biological structures (p. 193) | html | pdf |
- 9.1.13.5. A series of mutant or complex structures (pp. 193-194) | html | pdf |
- 9.1.13.6. Atomic resolution applications (p. 194) | html | pdf |
- 9.1.14. The importance of low-resolution data (p. 194) | html | pdf |
- 9.1.15. Data quality over the whole resolution range (p. 194) | html | pdf |
- 9.1.16. Final remarks (pp. 194-195) | html | pdf |
- References | html | pdf |
- Figures
- Fig. 9.1.6.1. The Ewald-sphere construction (p. 179) | html | pdf |
- Fig. 9.1.6.2. The plane of reflections in the reciprocal sphere that is approximately perpendicular to the X-ray beam gives rise to an ellipse of reflections on the detector (p. 180) | html | pdf |
- Fig. 9.1.6.3. Schematic representation of beam divergence (δ) and crystal mosaicity (η) (p. 180) | html | pdf |
- Fig. 9.1.6.4. A single lune on two consecutive exposures (p. 181) | html | pdf |
- Fig. 9.1.6.5. Appearance of a lune for (a) a crystal of low mosaicity and (b) a highly mosaic crystal (p. 181) | html | pdf |
- Fig. 9.1.6.6. The width of the lunes is proportional to the rotation range per image, Δφ, which increases from (a) to (c) (p. 182) | html | pdf |
- Fig. 9.1.6.7. The largest allowed rotation range per exposure depends on the dimension of the primitive unit cell oriented along the X-ray beam; this is diminished by high mosaicity (p. 183) | html | pdf |
- Fig. 9.1.6.8. If the crystal lattice is centred or if its orientation is non-axial, the reflections do not overlap in spite of overlapping lunes (p. 183) | html | pdf |
- Fig. 9.1.7.1. Rotation of a triclinic crystal by 180° in the X-ray beam, represented as rotating the Ewald sphere with a stationary crystal, projected along the rotation axis (p. 184) | html | pdf |
- Fig. 9.1.7.2. Rotation of a triclinic crystal by 135° is not sufficient to obtain totally complete data (p. 184) | html | pdf |
- Fig. 9.1.7.3. After a 90° rotation out of a required 180°, the overall completeness is higher than 50% (p. 185) | html | pdf |
- Fig. 9.1.7.4. For an orthorhombic crystal, a 90° rotation is sufficient provided the starting or final orientation is along the major axis (p. 185) | html | pdf |
- Fig. 9.1.7.5. Rotation of an orthorhombic crystal by 90° between two diagonal orientations leaves a part of the reciprocal space unmeasured (p. 185) | html | pdf |
- Fig. 9.1.7.6. For data containing an anomalous signal, when both Bijvoet mates have to be measured, 180° rotation of a triclinic crystal is not sufficient and at least an additional
![[2\theta_{\max}]](/teximages/cbch2o2/cbch2o2fi19.svg)
is required (p. 186) | html | pdf | - Fig. 9.1.7.7. Rotation by 360° leaves the part of the reciprocal space in the blind region unmeasured, since the reflections near the rotation axis do not cross the surface of the Ewald sphere (p. 186) | html | pdf |
- Fig. 9.1.7.8. Dependence of the total fraction of reflections in the blind region on the resolution for three different wavelengths: 1.54, 1 and 0.71 Å (p. 187) | html | pdf |
- Fig. 9.1.7.9. For shorter wavelengths the blind region is narrower, since the Ewald sphere is flatter (p. 187) | html | pdf |
- Fig. 9.1.7.10. If the crystal has a symmetry axis, it should be skewed from the rotation axis by at least
![[\theta_{\max}]](/teximages/cbch2o2/cbch2o2fi6.svg)
to be able to collect the reflections equivalent to those in the blind region (p. 187) | html | pdf | - Fig. 9.1.10.1. Images recorded from a crystal of lysozyme (p. 189) | html | pdf |
- Tables
- Table 9.1.1.1. Size of the unit cell and number of reflections (p. 177) | html | pdf |
- Table 9.1.7.1. Standard choice of asymmetric unit in reciprocal space for different point groups from the CCP4 program suite (p. 184) | html | pdf |
- Table 9.1.7.2. Rotation range (°) required in different crystal classes (p. 186) | html | pdf |
- Table 9.1.7.3. Space groups with alternative, non-equivalent indexing schemes (p. 188) | html | pdf |