8GPZ
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with C239-0012
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.158, 47.318, 79.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.666 - 1.528 |
R-factor | 0.1872 |
Rwork | 0.186 |
R-free | 0.21180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kei |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.560 |
High resolution limit [Å] | 1.528 | 1.530 |
Rmeas | 0.104 | 0.762 |
Rpim | 0.041 | 0.314 |
Number of reflections | 18654 | 791 |
<I/σ(I)> | 17.222 | 2 |
Completeness [%] | 97.7 | 86.2 |
Redundancy | 6.2 | 5.1 |
CC(1/2) | 0.999 | 0.782 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 287 | 6 M Sodium formate, 10% Glycerol |