6JMD
Crystal structure of human DHODH in complex with inhibitor 1223
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 | 2018-08-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.627, 90.627, 123.169 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.450 - 1.781 |
| R-factor | 0.1552 |
| Rwork | 0.155 |
| R-free | 0.17680 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.098 |
| 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 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmeas | 0.159 | |
| Rpim | 0.050 | |
| Number of reflections | 56535 | |
| <I/σ(I)> | 14.36 | |
| Completeness [%] | 99.9 | |
| Redundancy | 10 | |
| CC(1/2) | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | hepes pH4.6, 2M AMMONIUM SULPHATE, 30% Glycerol |
