6G0O
Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated ATRX peptide (K1030ac/K1033ac)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-16 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.864, 52.797, 53.317 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.520 - 1.400 |
R-factor | 0.135 |
Rwork | 0.134 |
R-free | 0.16610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Ensemble of 2OSS 2ouo 2grc 2oo1 3dai 3d7c 3dwy |
RMSD bond length | 0.014 |
RMSD bond angle | 1.723 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.317 | 53.317 | 1.480 |
High resolution limit [Å] | 1.400 | 4.430 | 1.400 |
Rmerge | 0.073 | 0.077 | 0.388 |
Rmeas | 0.080 | 0.085 | 0.425 |
Rpim | 0.031 | 0.035 | 0.172 |
Number of reflections | 27568 | 984 | 3896 |
<I/σ(I)> | 17.9 | 7.2 | 1.8 |
Completeness [%] | 99.2 | 99.6 | 98 |
Redundancy | 6.4 | 5.6 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 20.0 % PEG 6K 10.0 % EtGly 0.1 M HEPES pH 7.0 0.2 M LiCl |