6Y7I
Structure of the BRD9 bromodomain and compound 2
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 1 21 1 |
Unit cell lengths | 58.139, 38.380, 60.839 |
Unit cell angles | 90.00, 107.13, 90.00 |
Refinement procedure
Resolution | 58.140 - 1.600 |
R-factor | 0.1816 |
Rwork | 0.180 |
R-free | 0.21550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mq1 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.902 |
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 | Outer shell | |
Low resolution limit [Å] | 58.140 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.053 | 0.415 |
Rmeas | 0.064 | 0.504 |
Rpim | 0.036 | 0.281 |
Total number of observations | 96900 | |
Number of reflections | 33726 | 1614 |
<I/σ(I)> | 8.5 | |
Completeness [%] | 98.8 | 98.3 |
Redundancy | 2.9 | 2.9 |
CC(1/2) | 0.998 | 0.762 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.5 | 277 | 20% PEG3350, 10% ethylene glycol, 0.1M bis-tris-propane pH 6.5, 0.02M sodium/potassium phosphate |