7RV3
Crystal structure of the BCL6 BTB domain in complex with OICR-9124
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 | 2013-02-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 30.452, 72.292, 55.154 |
| Unit cell angles | 90.00, 105.26, 90.00 |
Refinement procedure
| Resolution | 36.150 - 1.350 |
| R-factor | 0.1604 |
| Rwork | 0.159 |
| R-free | 0.18600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r29 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.212 |
| 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] | 53.210 | 1.430 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.042 | 0.314 |
| Rmeas | 0.057 | 0.427 |
| Rpim | 0.039 | 0.288 |
| Number of reflections | 24306 | 3587 |
| <I/σ(I)> | 14 | 2.5 |
| Completeness [%] | 97.2 | 99.2 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 292 | Co-crystal grown from Ammonium sulfate with Bis-Tris buffer pH 8.8. Shifted to Hepes 7.4 before freezing |
