9QAC
Crystal structure of the SMARCA2 bromodomain bound to a fragment screening hit
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 31 |
| Unit cell lengths | 65.929, 65.929, 88.819 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.030 - 2.070 |
| R-factor | 0.189 |
| Rwork | 0.188 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.096 | 2.343 |
| High resolution limit [Å] | 2.070 | 2.071 |
| Rmerge | 0.100 | 0.797 |
| Rmeas | 0.112 | 0.931 |
| Rpim | 0.050 | 0.474 |
| Total number of observations | 2578 | |
| Number of reflections | 13656 | 684 |
| <I/σ(I)> | 9 | 1.7 |
| Completeness [%] | 52.0 | |
| Redundancy | 5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 277 | 0.01 M ZnCl2, 12 % EG, 17 % PEG6000, 0.1 M Hepes pH 7.0 |
