6FIC
Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 113.573, 113.573, 72.592 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 98.360 - 2.180 |
| R-factor | 0.20319 |
| Rwork | 0.201 |
| R-free | 0.23595 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eqf |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.812 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.360 | 2.210 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.011 | |
| Rmeas | 0.121 | |
| Number of reflections | 28664 | 1409 |
| <I/σ(I)> | 13.2 | 2.4 |
| Completeness [%] | 100.0 | 99 |
| Redundancy | 10.1 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES pH 7.5, 4.2 M NaCl |
