9HIF
Crystal Structure of Human cystathionine beta-synthase variant R336C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 150 |
| Detector technology | PIXEL |
| Collection date | 2024-07-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 126.089, 139.024, 169.902 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.700 - 3.650 |
| R-factor | 0.2124 |
| Rwork | 0.211 |
| R-free | 0.23630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.451 |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.700 | 3.780 |
| High resolution limit [Å] | 3.600 | 3.650 |
| Rmerge | 0.536 | |
| Rmeas | 0.558 | |
| Rpim | 0.153 | 0.153 |
| Number of reflections | 16936 | 16936 |
| <I/σ(I)> | 8.1 | 8.08 |
| Completeness [%] | 99.7 | 99.68 |
| Redundancy | 10 | |
| CC(1/2) | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291.15 | 16% (wt/vol) PEG 3350 and 3% Tacsimate |
