7UG5
Second bromodomain of BRD3 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 | 2020-08-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03319 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 104.590, 92.280, 64.910 |
Unit cell angles | 90.00, 99.42, 90.00 |
Refinement procedure
Resolution | 19.800 - 1.800 |
R-factor | 0.1886 |
Rwork | 0.188 |
R-free | 0.22370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7l9l |
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] | 19.800 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.121 | 0.887 |
Number of reflections | 56001 | 4129 |
<I/σ(I)> | 7.8 | 1.6 |
Completeness [%] | 99.4 | 99.5 |
Redundancy | 3.4 | |
CC(1/2) | 0.994 | 0.677 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 0.05M Magnesium chloride hexahydrate, 0.1M HEPES pH7.5, 30% v/v Polyethylene glycol monomethyl ether 550 |