7RV1
Crystal structure of the BCL6 BTB domain in complex with OICR-8826
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 | 2012-11-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 30.707, 72.689, 55.478 |
| Unit cell angles | 90.00, 106.50, 90.00 |
Refinement procedure
| Resolution | 30.010 - 1.170 |
| R-factor | 0.1301 |
| Rwork | 0.129 |
| R-free | 0.15130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r29 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.441 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.340 | 1.240 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmerge | 0.064 | 0.434 |
| Rmeas | 0.082 | 0.566 |
| Rpim | 0.050 | 0.360 |
| Number of reflections | 37804 | 5171 |
| <I/σ(I)> | 10.9 | 2.5 |
| Completeness [%] | 97.5 | 91.6 |
| Redundancy | 4.4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 292 | Ammoniuim sulfate , acetate pH 5.2 |
