6KEK
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
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 | 2018-10-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97942 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.339, 47.393, 79.418 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.710 - 1.553 |
R-factor | 0.1976 |
Rwork | 0.196 |
R-free | 0.23180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oss |
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 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.109 | 0.557 |
Rpim | 0.054 | 0.282 |
Number of reflections | 18038 | 835 |
<I/σ(I)> | 13.12 | |
Completeness [%] | 98.4 | |
Redundancy | 5.8 | |
CC(1/2) | 0.993 | 0.839 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 287 | 6 M sodium formate, 10% glycerol |