9NCV
Crystal Structure of WDR5 in complex with Triazole-Based Inhibitors
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-10 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.768, 68.834, 94.382 |
| Unit cell angles | 89.40, 76.65, 89.97 |
Refinement procedure
| Resolution | 45.500 - 1.580 |
| R-factor | 0.2544 |
| Rwork | 0.253 |
| R-free | 0.28710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.850 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.500 | 1.600 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Number of reflections | 148776 | 4019 |
| <I/σ(I)> | 14.5 | |
| Completeness [%] | 95.3 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.992 | 0.923 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | ammonium acetate, PEG3350, Bis-TRIS, TRIS, HEPES |
