9S1I
Crystal structure of human Dihydroorotate Dehydrogenase in complex with arzanol
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 193 |
| Detector technology | PIXEL |
| Collection date | 2023-02-11 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.477, 90.477, 122.860 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.340 - 1.610 |
| R-factor | 0.1645 |
| Rwork | 0.164 |
| R-free | 0.17550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.893 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.340 | 1.700 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.093 | 0.605 |
| Rmeas | 0.096 | 0.624 |
| Rpim | 0.023 | 0.148 |
| Number of reflections | 75934 | 10956 |
| <I/σ(I)> | 19.5 | 4.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 17.1 | 17.6 |
| CC(1/2) | 0.999 | 0.939 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 2M Ammonium Sulphate, 100 mM Sodium Acetate pH 4.8, 20 % glycerol |
