7QGT
Crystal structure of human cystathionine beta-synthase (delta516-525) in complex with AOAA.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.976284 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 125.553, 134.573, 169.291 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.970 - 2.691 |
R-factor | 0.21 |
Rwork | 0.208 |
R-free | 0.24180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4coo |
RMSD bond length | 0.006 |
RMSD bond angle | 0.870 |
Data reduction software | autoPROC (1.0.5) |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.846 | 2.922 |
High resolution limit [Å] | 2.691 | 2.691 |
Number of reflections | 22433 | 1123 |
<I/σ(I)> | 6.5 | |
Completeness [%] | 92.9 | |
Redundancy | 11.6 | |
CC(1/2) | 0.988 | 0.668 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 140 mM Na FORMATE, 20% PEG3350 |