7XRQ
The Catalytic Core Structure of Cystathionine beta-Synthase from Candida albicans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-17 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.691, 83.795, 63.921 |
| Unit cell angles | 90.00, 95.40, 90.00 |
Refinement procedure
| Resolution | 49.010 - 2.501 |
| R-factor | 0.2036 |
| Rwork | 0.201 |
| R-free | 0.25790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4coo |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.801 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.050 | 0.588 |
| Rmeas | 0.054 | 0.636 |
| Rpim | 0.021 | 0.242 |
| Number of reflections | 22086 | 1104 |
| <I/σ(I)> | 36.33 | 2.8 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 6.7 | 6.7 |
| CC(1/2) | 1.000 | 0.932 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7 | 293 | 1.8 M ammonium citrate tribasic, pH 7.0 |
