4COO
Crystal structure of human cystathionine beta-synthase (delta516-525) at 2.0 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-22 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.264, 116.193, 167.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.560 - 2.000 |
| R-factor | 0.17517 |
| Rwork | 0.174 |
| R-free | 0.20068 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jbq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.430 |
| Data reduction software | XIA |
| Data scaling software | XIA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.890 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.850 |
| Number of reflections | 93295 | |
| <I/σ(I)> | 15.1 | 2 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 4.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 18% PEG8000, 0.1 M CACODYLATE, PH 6.6 0.2 M SODIUM ACETATE |
