8F1G
Crystal structure of human WDR5 in complex with compound WM662
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-02-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97916 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.966, 80.243, 64.183 |
Unit cell angles | 90.00, 103.70, 90.00 |
Refinement procedure
Resolution | 40.120 - 2.140 |
R-factor | 0.204 |
Rwork | 0.202 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y7r |
RMSD bond length | 0.010 |
RMSD bond angle | 1.220 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.210 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.112 | 0.683 |
Rpim | 5.600 | 0.357 |
Number of reflections | 31932 | 2769 |
<I/σ(I)> | 6.5 | 1.9 |
Completeness [%] | 93.0 | |
Redundancy | 3.9 | |
CC(1/2) | 0.990 | 0.910 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES pH=7.4, 25 mM ammonium sulfate, 24% w/v Polyethylene glycol 3350 |