6VIW
BRD4_Bromodomain1 complex with pyrrolopyridone compound 18
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 | 2013-10-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 141.520, 141.520, 134.760 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 122.560 - 2.429 |
R-factor | 0.2201 |
Rwork | 0.220 |
R-free | 0.23190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uvw |
RMSD bond length | 0.008 |
RMSD bond angle | 0.960 |
Data scaling software | XSCALE |
Refinement software | BUSTER (2.11.7 (29-NOV-2019)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 122.560 | 2.471 |
High resolution limit [Å] | 2.429 | 2.429 |
Rmerge | 0.094 | 1.800 |
Number of reflections | 30565 | 1490 |
<I/σ(I)> | 22 | 2.2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 18.4 | 20.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 2.0 M Na Formate, 0.1M Tris pH 8.5 |