6KEE
Crystal structure of BRD4 Bromodomain1 with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.737, 47.703, 79.537 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.273 - 2.122 |
R-factor | 0.206512454635 |
Rwork | 0.203 |
R-free | 0.27354 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6afr |
RMSD bond length | 0.009 |
RMSD bond angle | 1.057 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.910 | 2.240 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmerge | 0.068 | 0.429 |
Rmeas | 0.075 | 0.487 |
Rpim | 0.031 | 0.233 |
Number of reflections | 6973 | 749 |
<I/σ(I)> | 14.2 | |
Completeness [%] | 93.0 | |
Redundancy | 5.8 | |
CC(1/2) | 0.998 | 0.904 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 4M Sodium Formate, 15% glycerol |