8QJR
BRG1 bromodomain in complex with VBC via compound 17
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 167.680, 88.044, 84.978 |
| Unit cell angles | 90.00, 105.89, 90.00 |
Refinement procedure
| Resolution | 80.640 - 3.170 |
| R-factor | 0.2628 |
| Rwork | 0.262 |
| R-free | 0.27840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.750 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (8-JUN-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.640 | 3.390 |
| High resolution limit [Å] | 3.170 | 3.170 |
| Rmerge | 0.150 | 0.578 |
| Number of reflections | 20137 | 3675 |
| <I/σ(I)> | 6.3 | 2 |
| Completeness [%] | 98.9 | 99.8 |
| Redundancy | 3.6 | 3.7 |
| CC(1/2) | 0.984 | 0.755 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 27 mM HEPES pH 6.8, 73 mM HEPES pH 8.6, 1.0 M NaI |
