7MR9
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-II-153
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.440, 44.310, 77.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.520 - 1.190 |
R-factor | 0.173 |
Rwork | 0.173 |
R-free | 0.18460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mxf |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.520 | 38.520 | 1.220 |
High resolution limit [Å] | 1.190 | 5.320 | 1.190 |
Rmerge | 0.097 | 0.063 | 0.633 |
Rmeas | 0.100 | 0.066 | 0.663 |
Total number of observations | 513971 | ||
Number of reflections | 38288 | 541 | 1787 |
<I/σ(I)> | 18.31 | 31.27 | 6.74 |
Completeness [%] | 90.3 | 98.7 | 57.9 |
Redundancy | 13.424 | 11.736 | 12.17 |
CC(1/2) | 0.998 | 0.998 | 0.889 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Ammonium acetate, 0.1 M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350 |