6E22
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 | 46.684, 53.635, 65.310 |
| Unit cell angles | 108.03, 90.15, 106.27 |
Refinement procedure
| Resolution | 44.600 - 1.600 |
| R-factor | 0.1593 |
| Rwork | 0.159 |
| R-free | 0.18000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6d9x |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.881 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((dev_3139: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.064 | 0.402 |
| Number of reflections | 72982 | |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 95.6 | |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bis-Tris pH 6.0 or Hepes pH 7.5, 0.2 M ammonium acetate, 28% to 32% PEG3350 |
