7RV9
Crystal structure of the BCL6 BTB domain in complex with OICR-10269
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 | 2014-08-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 31.215, 72.787, 54.995 |
| Unit cell angles | 90.00, 105.72, 90.00 |
Refinement procedure
| Resolution | 30.010 - 1.500 |
| R-factor | 0.148 |
| Rwork | 0.146 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r29 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.497 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.8) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.940 | 1.505 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.046 | 0.648 |
| Rmeas | 0.600 | |
| Rpim | 0.525 | |
| Number of reflections | 18489 | 193 |
| <I/σ(I)> | 13.5 | 2 |
| Completeness [%] | 97.7 | 96.5 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.726 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.6 | 292 | Microseeding with10% PEG6K with 0.1M MES pH 4.6, 100 mM AmSO4, 10% glycerol, 10% DMSO in Reservoir. Shifted to pH 7.4, 20% glycerol for freezing |
