6Y7J
Structure of the BRD9 bromodomain and compound 15
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2016-09-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92819 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 74.110, 118.690, 28.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.860 - 1.600 |
R-factor | 0.1959 |
Rwork | 0.193 |
R-free | 0.24450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mq1 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.956 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER (2.6.1) |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 62.860 | 62.860 | 1.630 |
High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
Rmerge | 0.073 | 0.020 | 0.586 |
Rmeas | 0.081 | 0.023 | 0.649 |
Rpim | 0.033 | 0.010 | 0.274 |
Total number of observations | 202571 | 1488 | 9258 |
Number of reflections | 34080 | 272 | 1670 |
<I/σ(I)> | 12 | 50.9 | 2.6 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 5.9 | 5.5 | 5.5 |
CC(1/2) | 0.999 | 0.999 | 0.435 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2M ammonium acetate, 25% PEG3350, 0.1M HEPES pH 7.5 |