6Y7L
Structure of the BRD9 bromodomain and TP-472
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-04-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.075, 41.435, 29.681 |
| Unit cell angles | 90.00, 101.72, 90.00 |
Refinement procedure
| Resolution | 52.420 - 1.800 |
| R-factor | 0.1641 |
| Rwork | 0.163 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mq1 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.940 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.25) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 52.420 | 27.940 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.052 | 0.036 | 0.241 |
| Rmeas | 0.058 | 0.040 | 0.288 |
| Rpim | 0.026 | 0.018 | 0.154 |
| Total number of observations | 457 | 1890 | |
| Number of reflections | 11846 | 102 | 627 |
| <I/σ(I)> | 17.6 | 33.9 | 4.4 |
| Completeness [%] | 99.1 | 95.1 | 91.1 |
| Redundancy | 4.6 | 4.5 | 3 |
| CC(1/2) | 0.998 | 0.998 | 0.924 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2M sodium chloride, 25% PEG3350, 0.1M tris pH 8.5 |
