6BQA
BRD9 bromodomain in complex with 3-(6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-23 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 |
Unit cell lengths | 24.785, 34.114, 39.867 |
Unit cell angles | 70.25, 74.14, 74.56 |
Refinement procedure
Resolution | 12.819 - 1.031 |
R-factor | 0.1626 |
Rwork | 0.162 |
R-free | 0.17120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 5I40 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (dev_2747) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.040 |
High resolution limit [Å] | 1.031 | 1.031 |
Number of reflections | 51882 | |
<I/σ(I)> | 12 | |
Completeness [%] | 90.8 | |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 277 | 0.1M Bis-Tris, pH 6.5, 20% PEG 2000 monomethylether |