8J6N
Crystal structure of Cystathionine gamma-lyase in complex with compound 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-27 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 176.214, 184.121, 175.944 |
Unit cell angles | 90.00, 99.46, 90.00 |
Refinement procedure
Resolution | 48.980 - 1.900 |
R-factor | 0.17362 |
Rwork | 0.172 |
R-free | 0.19570 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.584 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.980 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 430998 | 20919 |
<I/σ(I)> | 7.8 | |
Completeness [%] | 99.4 | |
Redundancy | 3.8 | |
CC(1/2) | 0.994 | 0.729 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.18 M tri-Ammonium citrate, 20% Polyethylene glycol 3,350 |