5N2L
Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
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 | 2014-11-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 147.244, 94.409, 38.585 |
Unit cell angles | 90.00, 95.43, 90.00 |
Refinement procedure
Resolution | 28.950 - 1.890 |
R-factor | 0.18375 |
Rwork | 0.181 |
R-free | 0.23264 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dvv |
RMSD bond length | 0.019 |
RMSD bond angle | 1.933 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.950 | 1.940 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.200 | 1.914 |
Rpim | 0.131 | 1.286 |
Number of reflections | 41476 | 2554 |
<I/σ(I)> | 11.5 | 2.7 |
Completeness [%] | 99.2 | 94.2 |
Redundancy | 6.5 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 25% PEG3350, 0.2 M ammonium sulfate, 0.1 M Bis-tris pH 5.5 |