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 |
