6SAJ
Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12)
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 | 41.404, 47.168, 57.265 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.408 - 1.500 |
R-factor | 0.1553 |
Rwork | 0.154 |
R-free | 0.17980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lyw |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.170 | 47.170 | 1.340 |
High resolution limit [Å] | 1.320 | 7.080 | 1.320 |
Rmerge | 0.107 | 0.058 | 1.294 |
Rmeas | 0.114 | 0.062 | 1.368 |
Rpim | 0.036 | 0.020 | 0.437 |
Total number of observations | 252428 | 1774 | 11730 |
Number of reflections | 26691 | 221 | 1254 |
<I/σ(I)> | 11.2 | 27.7 | 1.7 |
Completeness [%] | 97.9 | 99.8 | 91.1 |
Redundancy | 9.5 | 8 | 9.4 |
CC(1/2) | 0.998 | 0.998 | 0.620 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | HEPES, PEG3350 |