5IJ8
Structure of the primary oncogenic mutant Y641N Hs/AcPRC2 in complex with a pyridone inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 98 |
| Detector technology | PIXEL |
| Collection date | 2015-10-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.331, 115.133, 153.939 |
| Unit cell angles | 90.00, 103.35, 90.00 |
Refinement procedure
| Resolution | 91.280 - 2.990 |
| R-factor | 0.1907 |
| Rwork | 0.188 |
| R-free | 0.23960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data scaling software | autoPROC |
| Phasing software | CNX |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 115.130 | 3.150 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Rmerge | 0.099 | 0.580 |
| Number of reflections | 49287 | |
| <I/σ(I)> | 13 | 2.5 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 286 | 24.0 %w/v PEG monomethyl ether 2000, 0.0050 M TCEP hydrochloride, 0.1 M MES (pH 5.80) |
