7FH2
Crystal structure of the first bromodomain of BRD4 in complex with 16D10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-15 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.010, 75.876, 110.803 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.630 - 2.492 |
R-factor | 0.255 |
Rwork | 0.253 |
R-free | 0.29250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ajw |
RMSD bond length | 0.003 |
RMSD bond angle | 0.626 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.530 | 2.580 |
High resolution limit [Å] | 2.490 | 2.490 |
Rmeas | 0.125 | 1.254 |
Rpim | 0.038 | 0.371 |
Number of reflections | 21984 | 2089 |
<I/σ(I)> | 12.7 | 2.3 |
Completeness [%] | 99.3 | 95.56 |
Redundancy | 10.9 | |
CC(1/2) | 0.998 | 0.953 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 13.4 mg/mL BRD4-BD1, 0.5 mM 16D10, 20% PEG 3350, 0.1 M Bis-Tris pH 6.5, 0.2 M ammonium sulfate |