4LS2
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313
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 | 2013-05-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97852 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 90.390, 90.390, 122.900 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.012 - 2.270 |
R-factor | 0.1534 |
Rwork | 0.151 |
R-free | 0.18990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1d3g |
RMSD bond length | 0.007 |
RMSD bond angle | 1.206 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.297 | 2.390 |
High resolution limit [Å] | 2.270 | 2.270 |
Number of reflections | 27386 | |
Completeness [%] | 79.7 | 99.95 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 0.1M acetate, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |