7RJR
Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with BCLTF1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-04-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.321, 43.796, 78.438 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.010 - 1.450 |
R-factor | 0.1724 |
Rwork | 0.171 |
R-free | 0.20720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mxf |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 23.010 | 23.010 | 1.480 |
High resolution limit [Å] | 1.450 | 7.970 | 1.450 |
Rmerge | 0.098 | 0.044 | 0.602 |
Rmeas | 0.102 | 0.047 | 0.634 |
Rpim | 0.029 | 0.013 | 0.195 |
Total number of observations | 292317 | 1780 | 9892 |
Number of reflections | 23219 | 175 | 1043 |
<I/σ(I)> | 15.7 | 36.2 | 3.3 |
Completeness [%] | 99.5 | 96.9 | 91.1 |
Redundancy | 12.6 | 10.2 | 9.5 |
CC(1/2) | 0.999 | 0.999 | 0.933 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 30% w/v PEG4000, 0.2 M sodium acetate trihydrate, 0.1 M Tris-HCl |