9I2Y
Human DHODH in Complex with QC6352
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-01-19 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.384, 90.384, 122.511 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.050 - 1.950 |
| R-factor | 0.17867 |
| Rwork | 0.178 |
| R-free | 0.19805 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.320 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.050 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 42816 | 2978 |
| <I/σ(I)> | 13.1 | 1.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 20.4 | 21.1 |
| CC(1/2) | 0.990 | 0.716 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 34% PEG 400 0.2 M KSCN 0.2 M NaBr 0.1M acetate pH 4.8 |
