5WFC
Humanized mutant of the Chaetomium thermophilum Polycomb Repressive Complex 2 bound to the inhibitor GSK343
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 93.15 |
Detector technology | PIXEL |
Collection date | 2017-06-22 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 117.587, 137.794, 222.332 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.723 - 2.282 |
R-factor | 0.1684 |
Rwork | 0.167 |
R-free | 0.20310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5bjs |
RMSD bond length | 0.008 |
RMSD bond angle | 0.881 |
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 | 2.330 |
High resolution limit [Å] | 2.282 | 2.290 |
Rmerge | 0.109 | 1.126 |
Rpim | 0.033 | 0.454 |
Number of reflections | 79303 | 3729 |
<I/σ(I)> | 24.6 | 2.11 |
Completeness [%] | 99.1 | 91.4 |
Redundancy | 12 | 7.1 |
CC(1/2) | 0.925 | 0.476 |
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 |