5HFR
Crystal structure of the second bromodomain H395R mutant of human BRD3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 64.828, 92.546, 102.954 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.550 - 1.700 |
R-factor | 0.195 |
Rwork | 0.194 |
R-free | 0.22086 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oo1 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.486 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.550 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.234 | 2.483 |
Number of reflections | 68935 | |
<I/σ(I)> | 13 | 2.7 |
Completeness [%] | 99.3 | 87.4 |
Redundancy | 12.7 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2 M sodium nitrate, 10 % PEG 3350, 5 % EDO, 0.1 M bis tris prop. pH 6.5 |