6Y7K
Structure of the BRD9 bromodomain and compound 27
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 | C 1 2 1 |
| Unit cell lengths | 108.888, 41.670, 30.190 |
| Unit cell angles | 90.00, 102.58, 90.00 |
Refinement procedure
| Resolution | 53.140 - 1.200 |
| R-factor | 0.1234 |
| Rwork | 0.122 |
| R-free | 0.15800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mq1 |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.518 |
| 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] | 53.140 | 29.470 | 1.220 |
| High resolution limit [Å] | 1.200 | 6.460 | 1.200 |
| Rmerge | 0.038 | 0.053 | 0.125 |
| Rmeas | 0.046 | 0.065 | 0.158 |
| Rpim | 0.025 | 0.037 | 0.094 |
| Total number of observations | 985 | 4959 | |
| Number of reflections | 39068 | 287 | 1944 |
| <I/σ(I)> | 17.3 | 34.5 | 6.3 |
| Completeness [%] | 94.7 | 99.2 | 92.3 |
| Redundancy | 3.1 | 3.4 | 2.6 |
| CC(1/2) | 0.995 | 0.968 | 0.966 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350,10% ethylene glycol, 0.1M bis-tris-propane pH 7.5, 0.2M potassium thiocyanate |
