6J3C
Crystal structure of human DHODH in complex with inhibitor 1291
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 | 2018-04-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 90.596, 90.596, 122.803 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.934 - 1.851 |
R-factor | 0.1703 |
Rwork | 0.169 |
R-free | 0.19510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.018 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.950 |
High resolution limit [Å] | 1.850 | 1.890 |
Rpim | 0.053 | 0.318 |
Number of reflections | 50299 | 3312 |
<I/σ(I)> | 13 | |
Completeness [%] | 100.0 | |
Redundancy | 9.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | hepes pH4.6, 2M AMMONIUM SULPHATE, 30% Glycerol |