7T0S
Crystal structure of the BCL6 BTB domain in complex with OICR-11864
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 | 2016-02-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.740, 72.290, 55.330 |
| Unit cell angles | 90.00, 108.32, 90.00 |
Refinement procedure
| Resolution | 29.780 - 1.860 |
| R-factor | 0.2134 |
| Rwork | 0.212 |
| R-free | 0.24950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r29 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.054 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.869 | 55.869 | 1.862 |
| High resolution limit [Å] | 1.856 | 8.605 | 1.856 |
| Rmerge | 0.078 | 0.033 | 0.709 |
| Rmeas | 0.088 | 0.037 | 0.813 |
| Rpim | 0.041 | 0.018 | 0.392 |
| Total number of observations | 131396 | 1289 | 1173 |
| Number of reflections | 29330 | 313 | 280 |
| <I/σ(I)> | 10.6 | 20.6 | 2.3 |
| Completeness [%] | 99.8 | 98.7 | 96.6 |
| Redundancy | 4.5 | 4.1 | 4.2 |
| CC(1/2) | 0.999 | 0.999 | 0.866 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 290 | 21% PEG6K as precipitant in pH 6.6 Cacodylate 10% DMSO +100 mM AmSO4 Crystal cryoprotected in resevoir buffer containing 25% glycerol |
