8AG2
Crystal structure of the BPTF bromodomain in complex with BI-7190
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-05-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000021 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 27.241, 65.791, 39.728 |
| Unit cell angles | 90.00, 102.51, 90.00 |
Refinement procedure
| Resolution | 38.780 - 1.025 |
| R-factor | 0.1554 |
| Rwork | 0.155 |
| R-free | 0.17100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uv2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.940 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC (1.1.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.784 | 1.091 |
| High resolution limit [Å] | 1.025 | 1.025 |
| Rmerge | 0.085 | 0.569 |
| Number of reflections | 54717 | 2737 |
| <I/σ(I)> | 11.1 | 1.8 |
| Completeness [%] | 79.9 | 23.5 |
| Redundancy | 5.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 32 % PEG1 000 200 mM magnesium chloride 100 mM sodium cacodylate |
