6VND
Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 90.526, 90.526, 123.761 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.780 - 1.970 |
R-factor | 0.1571 |
Rwork | 0.155 |
R-free | 0.19010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zws |
RMSD bond length | 0.019 |
RMSD bond angle | 1.381 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.079 | 0.520 |
Number of reflections | 38783 | 1953 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 92.7 | 93.9 |
Redundancy | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 2.5 M ammonium sulfate, 30% glycerol, 0.1 M sodium acetate, pH 4.8 |