9EG9
Crystal structure of human dihydroorotate dehydrogenase in complex with lapachol
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-04 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 0.918400 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.460, 90.460, 122.660 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.340 - 1.310 |
| R-factor | 0.17427 |
| Rwork | 0.174 |
| R-free | 0.17997 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.456 |
| Data reduction software | XDS |
| Data scaling software | pointless (1.12.10) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.340 | 1.390 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Number of reflections | 139283 | 22325 |
| <I/σ(I)> | 18.45 | 0.98 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 19.96 | |
| CC(1/2) | 1.000 | 0.412 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293.15 | 0.1 M sodium acetate trihydrate pH 4.8, 1.8 M ammonium sulfate and 30% (v/v) glycerol |
