7UGF
First bromodomain of BRD4 liganded with BMS-536924
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2020-11-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03319 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.400, 44.260, 78.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.320 - 1.450 |
R-factor | 0.1725 |
Rwork | 0.171 |
R-free | 0.18990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kj0 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.320 | 1.490 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmeas | 0.055 | 0.247 |
Number of reflections | 23514 | 1512 |
<I/σ(I)> | 19.7 | 4.6 |
Completeness [%] | 98.6 | |
Redundancy | 6.3 | |
CC(1/2) | 0.999 | 0.952 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.2M Lithium sulfate monohydrate, 0.1 M BIS-TRIS pH 6.5, 25% w/v Polyethylene glycol 3,350 |