5IJ7
Structure of 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 | 2015-04-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.575, 115.042, 153.033 |
| Unit cell angles | 90.00, 102.53, 90.00 |
Refinement procedure
| Resolution | 91.150 - 2.620 |
| R-factor | 0.1935 |
| Rwork | 0.191 |
| R-free | 0.23800 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data scaling software | autoPROC |
| Phasing software | autoSHARP |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 149.390 | 3.210 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Rmerge | 0.061 | 0.306 |
| Number of reflections | 70687 | |
| <I/σ(I)> | 16.6 | 4.3 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 286 | 24.0 %w/v PEG monomethyl ether 2000, 0.0050 M TCEP hydrochloride, 0.1 M Bis_tris (pH 6.60) |
