7MRA
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-II-259
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 | 37.910, 42.770, 78.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.170 - 1.160 |
R-factor | 0.1759 |
Rwork | 0.175 |
R-free | 0.18640 |
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] | 34.170 | 34.170 | 1.190 |
High resolution limit [Å] | 1.160 | 5.190 | 1.160 |
Rmerge | 0.063 | 0.040 | 0.873 |
Rmeas | 0.066 | 0.042 | 0.920 |
Total number of observations | 524382 | ||
Number of reflections | 41072 | 582 | 1795 |
<I/σ(I)> | 20.14 | 40.81 | 3.02 |
Completeness [%] | 90.8 | 98.8 | 54.1 |
Redundancy | 12.767 | 11.18 | 10.278 |
CC(1/2) | 0.999 | 0.999 | 0.644 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Sodium chloride, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350 |