4RR4
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A367
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97852 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 91.380, 91.380, 122.441 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.690 - 2.380 |
R-factor | 0.16622 |
Rwork | 0.164 |
R-free | 0.20739 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4js3 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.623 |
Data reduction software | HKL-2000 |
Phasing software | auto (MR) |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.690 | 2.510 |
High resolution limit [Å] | 2.380 | 2.380 |
Number of reflections | 23023 | |
Completeness [%] | 94.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 0.1M acetate pH 4.8, 40 mM UDAO, 20.8 mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, 1 mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 293K |