8PBG
Mutant K1556T of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoroorotate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-22 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.87313 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.060, 159.031, 61.933 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.530 - 1.460 |
R-factor | 0.1241 |
Rwork | 0.123 |
R-free | 0.15080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.079 |
Phasing software | PHASER (v8.0) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.530 | 1.512 |
High resolution limit [Å] | 1.460 | 1.460 |
Number of reflections | 920961 | 89296 |
<I/σ(I)> | 18.54 | 2.64 |
Completeness [%] | 99.9 | |
Redundancy | 13.1 | |
CC(1/2) | 0.999 | 0.889 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 100 mM HEPES pH 7.5, 3M Sodium formate, 2 mM fluoorotate |