6CJF
Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 |
Unit cell lengths | 50.752, 51.527, 65.088 |
Unit cell angles | 89.15, 81.61, 76.44 |
Refinement procedure
Resolution | 32.473 - 1.630 |
R-factor | 0.1645 |
Rwork | 0.163 |
R-free | 0.18880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4igh |
RMSD bond length | 0.006 |
RMSD bond angle | 0.865 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.630 | 1.630 |
Number of reflections | 75537 | |
<I/σ(I)> | 10 | 2 |
Completeness [%] | 97.2 | 95.2 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.72 M ammonium sulfate, 1.4 M sodium chloride, 0.1 M sodium acetate pH 5.3, 10 mM DTT |