3ZYU
Crystal Structure of the first bromodomain of human BRD4 in complex with I-BET151(GSK1210151A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.894, 59.542, 109.195 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 109.110 - 1.500 |
R-factor | 0.16422 |
Rwork | 0.162 |
R-free | 0.20095 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oss |
RMSD bond length | 0.005 |
RMSD bond angle | 1.060 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.890 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.080 | 0.400 |
Number of reflections | 44656 | |
<I/σ(I)> | 10.7 | 3.6 |
Completeness [%] | 97.5 | 95.9 |
Redundancy | 7.1 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |