7RUI
Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-15 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.158, 42.303, 90.557 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.360 - 1.350 |
R-factor | 0.1702 |
Rwork | 0.169 |
R-free | 0.18950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mxf |
RMSD bond length | 0.019 |
RMSD bond angle | 1.954 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.300 | 1.370 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.081 | 0.363 |
Rmeas | 0.089 | 0.438 |
Rpim | 0.036 | 0.239 |
Total number of observations | 188859 | |
Number of reflections | 31930 | 1219 |
<I/σ(I)> | 11.7 | |
Completeness [%] | 97.0 | 77.5 |
Redundancy | 5.9 | 3.2 |
CC(1/2) | 0.995 | 0.832 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 1.6 M ammonium sulfate, 0.1 M HEPES, pH 7.5, 0.1 M sodium chloride |