7RV8
Crystal structure of the BCL6 BTB domain in complex with OICR-10268
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 | 2014-08-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 30.768, 72.566, 55.128 |
| Unit cell angles | 90.00, 105.85, 90.00 |
Refinement procedure
| Resolution | 36.280 - 1.250 |
| R-factor | 0.1377 |
| Rwork | 0.137 |
| R-free | 0.16230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1R_29 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.554 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.8) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.280 | 36.280 | 1.350 |
| High resolution limit [Å] | 1.250 | 3.320 | 1.250 |
| Rmerge | 0.034 | 0.027 | 0.445 |
| Rmeas | 0.041 | 0.032 | 0.529 |
| Rpim | 0.022 | 0.017 | 0.283 |
| Total number of observations | 5334 | 20965 | |
| Number of reflections | 30799 | 1679 | 6213 |
| <I/σ(I)> | 16.6 | 44.2 | 2.7 |
| Completeness [%] | 96.7 | 95.3 | 95.2 |
| Redundancy | 3.4 | 3.2 | 3.4 |
| CC(1/2) | 0.999 | 0.998 | 0.859 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.6 | 292 | 10% 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 |
