7RV6
Crystal structure of the BCL6 BTB domain in complex with OICR-9288
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 30.339, 72.177, 54.811 |
| Unit cell angles | 90.00, 106.26, 90.00 |
Refinement procedure
| Resolution | 36.110 - 1.683 |
| R-factor | 0.162 |
| Rwork | 0.161 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r29 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.563 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.110 | 1.690 |
| High resolution limit [Å] | 1.683 | 1.680 |
| Rmerge | 0.045 | 0.423 |
| Number of reflections | 12370 | 132 |
| <I/σ(I)> | 16.5 | 2.8 |
| Completeness [%] | 96.0 | 96.9 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.4 | 292 | 16-20% PEG 8K in 0.1M pH 7.4 Hepes buffer, 50 mM CaCl2. Crystals were soaked in 0.1M Hepes 7.4, 20% PEG 8K, 25% glycerol 0.5 mM ligand prior to passage through paratone and freezing. |
