6E6J
BRD2_Bromodomain2 complex with inhibitor 744
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 |
Unit cell lengths | 107.776, 107.776, 89.751 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.480 - 2.440 |
R-factor | 0.212 |
Rwork | 0.211 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 107.000 | 2.481 |
High resolution limit [Å] | 2.440 | 2.440 |
Number of reflections | 38394 | |
<I/σ(I)> | 14 | |
Completeness [%] | 100.0 | |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | Protein Buffer: 10 mM HEPES, pH 7.5, 300 mM NaCl, 0.5mM TCEP Reservoir: 20% PEG 8000, 0.2 M NaCl, 0.1 Cacodylate, pH 5.5 |