6TPZ
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
This is a non-PDB format compatible entry.
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 | 2015-03-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.493, 49.533, 58.213 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.725 - 1.299 |
Rwork | 0.192 |
R-free | 0.21760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | not published |
RMSD bond length | 0.003 |
RMSD bond angle | 1.144 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.530 | 1.370 |
High resolution limit [Å] | 1.299 | 1.299 |
Number of reflections | 28760 | 4083 |
<I/σ(I)> | 30.5 | 11.2 |
Completeness [%] | 99.7 | 98.6 |
Redundancy | 5.9 | |
CC(1/2) | 0.999 | 0.987 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | of 0.1 PCTP pH 8.0, 25% v/v PEG1500 |