6B3W
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
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 | 2016-10-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.778, 115.178, 150.967 |
| Unit cell angles | 90.00, 102.58, 90.00 |
Refinement procedure
| Resolution | 147.340 - 3.050 |
| R-factor | 0.227 |
| Rwork | 0.224 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ij7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data scaling software | Aimless |
| Phasing software | CNX |
| Refinement software | CNS (2005) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 147.340 |
| High resolution limit [Å] | 3.050 |
| Number of reflections | 45666 |
| <I/σ(I)> | 12.6 |
| Completeness [%] | 98.7 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 286 | 23.0 %w/v PEG monomethyl ether 2000, 0.0050 M TCEP hydrochloride, 0.1 M MES (pH 6.20) |
