6VIZ
BRD4_Bromodomain1 complex with pyrrolopyridone compound 27
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 | 2014-07-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 141.430, 141.430, 134.050 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 122.480 - 2.391 |
R-factor | 0.209 |
Rwork | 0.208 |
R-free | 0.21660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uvw |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Refinement software | BUSTER (2.11.7 (29-NOV-2019)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 122.482 | 2.432 |
High resolution limit [Å] | 2.391 | 2.391 |
Rmerge | 0.089 | 1.582 |
Number of reflections | 31667 | 1552 |
<I/σ(I)> | 24.1 | 2.2 |
Completeness [%] | 99.5 | 99.9 |
Redundancy | 19.5 | 19.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 2.0M Na Formate, 0.1M Bis-Tris Propane, pH 7.0 |