6E1Z
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
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 | CCD |
| Collection date | 2018-07-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.589, 53.252, 65.524 |
| Unit cell angles | 71.94, 89.94, 73.61 |
Refinement procedure
| Resolution | 23.004 - 1.100 |
| R-factor | 0.1434 |
| Rwork | 0.143 |
| R-free | 0.16300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6d9x |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.077 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((dev_3139: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rpim | 0.041 | 0.386 |
| Number of reflections | 217199 | |
| <I/σ(I)> | 15 | |
| Completeness [%] | 93.6 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M Hepes pH 7.5, 0.2 M ammonium acetate, 28% to 32% PEG3350 |
