8B96
Crystal structure of the human BRD4-BD1 bromodomain in complex with the inhibitor CRCM5464
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-19 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.431, 47.338, 58.112 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.702 - 1.338 |
R-factor | 0.1666 |
Rwork | 0.165 |
R-free | 0.19450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oss |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.702 | 3.990 | 1.420 |
High resolution limit [Å] | 1.338 | 2.830 | 1.338 |
Number of reflections | 27993 | 1168 | 4220 |
<I/σ(I)> | 20.7 | ||
Completeness [%] | 98.9 | ||
Redundancy | 4.3 | ||
CC(1/2) | 0.990 | 0.990 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298.15 | 0.3M NaNO3, 16% PEG3350, 5% Ethylene Glycol |