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 |
