6SAH
Crystal Structure of BRD4(1) bound to inhibitor BUX5 (11)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.99998 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.094, 46.224, 57.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.907 - 1.500 |
R-factor | 0.1539 |
Rwork | 0.153 |
R-free | 0.16860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lyw |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.220 | 46.220 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.048 | 0.036 | 0.230 |
Rmeas | 0.050 | 0.038 | 0.239 |
Rpim | 0.014 | 0.011 | 0.066 |
Total number of observations | 230945 | 1417 | 11694 |
Number of reflections | 17986 | 141 | 883 |
<I/σ(I)> | 30.4 | 52.7 | 10.1 |
Completeness [%] | 99.9 | 99.7 | 100 |
Redundancy | 12.8 | 10 | 13.2 |
CC(1/2) | 0.999 | 0.999 | 0.986 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Index D6, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350 |