7T5Y
E. coli dihydroorotate dehydrogenase bound to the inhibitor HMNQ
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.03384 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 104.046, 169.328, 129.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.300 - 2.620 |
R-factor | 0.2131 |
Rwork | 0.212 |
R-free | 0.23880 |
Structure solution method | SIR |
Starting model (for MR) | 7t5k |
RMSD bond length | 0.011 |
RMSD bond angle | 1.136 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.300 | 2.719 |
High resolution limit [Å] | 2.620 | 2.625 |
Rmerge | 0.173 | |
Rmeas | 0.186 | |
Rpim | 0.067 | |
Number of reflections | 34399 | 3231 |
<I/σ(I)> | 9.91 | 0.88 |
Completeness [%] | 99.1 | 93.39 |
Redundancy | 7.4 | 7.2 |
CC(1/2) | 0.996 | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | sodium malonate, PEG 3350 |