5G4R
BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-6-2R-2- methylpiperazin-1-yl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl-2- methoxybenzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-24 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.444, 50.703, 61.981 |
| Unit cell angles | 72.61, 71.36, 66.64 |
Refinement procedure
| Resolution | 57.570 - 1.960 |
| R-factor | 0.20237 |
| Rwork | 0.200 |
| R-free | 0.24031 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.353 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.570 | 2.070 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.060 | 0.180 |
| Number of reflections | 33077 | |
| <I/σ(I)> | 7.2 | 2.3 |
| Completeness [%] | 93.9 | 93.9 |
| Redundancy | 1.8 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 30% P550MME_P20K, 0.1M BUFFER 3, PH8.5, 10% ETHYLENE GLYCOLS |
