6Y7H
Structure of the BRD9 bromodomain and compound 11
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 | 58.610, 38.310, 60.940 |
| Unit cell angles | 90.00, 107.05, 90.00 |
Refinement procedure
| Resolution | 58.260 - 1.800 |
| R-factor | 0.1858 |
| Rwork | 0.184 |
| R-free | 0.22620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mq1 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.880 |
| 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] | 58.260 | 58.260 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.084 | 0.035 | 0.449 |
| Rmeas | 0.102 | 0.041 | 0.552 |
| Rpim | 0.057 | 0.022 | 0.317 |
| Total number of observations | 72790 | 702 | 4089 |
| Number of reflections | 24177 | 222 | 1442 |
| <I/σ(I)> | 7.2 | 21.3 | 2.2 |
| Completeness [%] | 99.4 | 99.7 | 99.2 |
| Redundancy | 3 | 3.2 | 2.8 |
| CC(1/2) | 0.996 | 0.998 | 0.405 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.05M ammonium sulfate, 30% pentaerythritol ethoxylate 15/4, 0.1M bis-tris pH 6.5 |
