6KEG
BRD4 Bromodomain1 with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
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 | 33.973, 47.385, 78.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.075 - 2.232 |
R-factor | 0.2451 |
Rwork | 0.240 |
R-free | 0.32960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.520 | 2.350 |
High resolution limit [Å] | 2.230 | 2.230 |
Rmerge | 0.079 | 0.609 |
Rmeas | 0.087 | 0.676 |
Rpim | 0.035 | 0.287 |
Number of reflections | 6553 | 929 |
<I/σ(I)> | 12.8 | 2.7 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 3.2 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 4M sodium formate, 15% glycerol |