8T5I
Crystal structure of human WDR5 in complex with MR4397
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-09 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.382, 86.370, 80.796 |
Unit cell angles | 90.00, 96.59, 90.00 |
Refinement procedure
Resolution | 49.060 - 1.700 |
R-factor | 0.19722 |
Rwork | 0.197 |
R-free | 0.23174 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.398 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
Rmerge | 0.135 | 0.065 | 0.982 |
Rmeas | 0.149 | 0.071 | 1.087 |
Rpim | 0.062 | 0.029 | 0.456 |
Total number of observations | 416078 | ||
Number of reflections | 72369 | 3661 | 3548 |
<I/σ(I)> | 7.7 | ||
Completeness [%] | 95.9 | 94.4 | 95.1 |
Redundancy | 5.7 | 6 | 5.4 |
CC(1/2) | 0.983 | 0.993 | 0.658 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 25% PEG3350, 0.2 M (NH4)2SO4, 0.1M BTP pH 7.0 |