5WFD
Humanized mutant of the Chaetomium thermophilum Polycomb Repressive Complex 2 bound to the inhibitor GSK126
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2017-06-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 117.534, 136.971, 223.583 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.146 - 2.654 |
R-factor | 0.1836 |
Rwork | 0.181 |
R-free | 0.24020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5bjs |
RMSD bond length | 0.012 |
RMSD bond angle | 1.107 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.700 |
High resolution limit [Å] | 2.654 | 2.654 |
Rmerge | 0.213 | 3.146 |
Rpim | 0.066 | 0.975 |
Number of reflections | 52188 | 2541 |
<I/σ(I)> | 14.6 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.4 | 11.1 |
CC(1/2) | 0.882 | 0.535 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 100 mM sodium malonate pH 7.0, 16% PEG 3350, 43 mM 3-cyclohexyl-1-propylphosphocholine |