7RN2
Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2
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 | PIXEL |
Collection date | 2021-07-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.8 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.477, 44.626, 78.416 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.070 - 1.050 |
R-factor | 0.1654 |
Rwork | 0.164 |
R-free | 0.18440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mxf |
RMSD bond length | 0.011 |
RMSD bond angle | 1.433 |
Data reduction software | DIALS |
Data scaling software | xia2 |
Refinement software | PHENIX (1.19rc5_4047) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.070 | 1.070 |
High resolution limit [Å] | 1.050 | 1.050 |
Rmerge | 0.068 | |
Number of reflections | 60488 | 2710 |
<I/σ(I)> | 18.7 | |
Completeness [%] | 99.9 | |
Redundancy | 11 | |
CC(1/2) | 0.992 | 0.783 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Bis-Tris, pH 6.8, 20% PEG3350, 15% ethylene glycol |