4ZL1
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18X at 1.86 A resolution
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 | 2015-04-05 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97852 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 91.319, 91.319, 122.824 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.040 - 1.860 |
R-factor | 0.1609 |
Rwork | 0.160 |
R-free | 0.17893 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jtu |
RMSD bond length | 0.026 |
RMSD bond angle | 2.264 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.040 | 1.908 |
High resolution limit [Å] | 1.860 | 1.860 |
Number of reflections | 47711 | |
<I/σ(I)> | 1.3 | |
Completeness [%] | 99.9 | 98.99 |
Redundancy | 10.7 |
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, 1mM inhibitor |