5G4S
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-N- ethyl-2-methoxybenzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Collection date | 2014-09-04 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 60.530, 60.530, 85.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.330 - 1.600 |
| R-factor | 0.18699 |
| Rwork | 0.187 |
| R-free | 0.19373 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.082 |
| 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] | 49.330 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.060 | 0.360 |
| Number of reflections | 21557 | |
| <I/σ(I)> | 26.4 | 8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.6 | 12.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1M MORPHEUS BUFFER 1, PH 6.5 37.5% MPD_P1K_P3350 10% MORPHEUS NITRATE-PHOSPHATE-SULPHATE |
