5NNG
Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SRPK1 peptide (K585ac)
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) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.051, 44.141, 81.746 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.870 - 1.200 |
R-factor | 0.12872 |
Rwork | 0.127 |
R-free | 0.15773 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oss |
RMSD bond length | 0.014 |
RMSD bond angle | 1.597 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.870 | 1.260 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.051 | 0.518 |
Rmeas | 0.022 | 0.221 |
Rpim | 0.022 | 0.221 |
Number of reflections | 42718 | 38775 |
<I/σ(I)> | 18.2 | 4.3 |
Completeness [%] | 99.0 | 100 |
Redundancy | 6.3 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 30% PEG1000 0.1M PCB pH 7.0 |