9NCT
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 | 2021-10-18 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.000, 46.880, 93.328 |
| Unit cell angles | 90.00, 113.52, 90.00 |
Refinement procedure
| Resolution | 44.670 - 2.110 |
| R-factor | 0.1787 |
| Rwork | 0.175 |
| R-free | 0.22790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.848 |
| 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] | 44.670 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 30647 | 1951 |
| <I/σ(I)> | 19.95 | |
| Completeness [%] | 95.5 | 86.25 |
| Redundancy | 6.7 | |
| CC(1/2) | 0.993 | 0.862 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | Ammonium Acetate, PEG 3350, Bis-TRS, TRIS, or HEPES |
