4UUU
1.7 A resolution structure of human cystathionine beta-synthase regulatory domain (del 516-525) in complex with SAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-19 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.850, 78.650, 90.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.090 - 1.710 |
| R-factor | 0.16101 |
| Rwork | 0.159 |
| R-free | 0.19858 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.744 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.090 | 1.760 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.060 | 0.490 |
| Number of reflections | 31258 | |
| <I/σ(I)> | 12.1 | 2.1 |
| Completeness [%] | 99.1 | 97 |
| Redundancy | 4.4 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 36% PEG550MME, 0.1M TRIS PH 7.5, 0.2M CALCIUM CHLORIDE |
