5MG2
Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 64.739, 64.739, 101.082 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 56.070 - 1.750 |
| R-factor | 0.18796 |
| Rwork | 0.186 |
| R-free | 0.22039 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uv4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.277 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 101.080 | 1.850 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.061 | 0.693 |
| Number of reflections | 24216 | |
| <I/σ(I)> | 17.3 | 2.8 |
| Completeness [%] | 96.3 | 100 |
| Redundancy | 7.4 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 20%PEG 10K, 0.20 M NaCl, 0.1M citrate/phosphate pH 4.2 |
