7T0T
Crystal structure of the BCL6 BTB domain in complex with OICR-10562
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 | 2015-04-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.592, 102.549, 65.028 |
| Unit cell angles | 90.00, 115.48, 90.00 |
Refinement procedure
| Resolution | 32.360 - 2.000 |
| R-factor | 0.1827 |
| Rwork | 0.181 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r29 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.793 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.950 | 50.950 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.330 | 2.000 |
| Rmerge | 0.151 | 0.066 | 0.806 |
| Rmeas | 0.171 | 0.075 | 0.918 |
| Rpim | 0.080 | 0.034 | 0.433 |
| Total number of observations | 224733 | 7207 | 32580 |
| Number of reflections | 49900 | 1608 | 7263 |
| <I/σ(I)> | 8.9 | 21.8 | 2.6 |
| Completeness [%] | 99.8 | 98.6 | 99.9 |
| Redundancy | 4.5 | 4.5 | 4.5 |
| CC(1/2) | 0.993 | 0.996 | 0.601 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.8 | 293 | 2.25M NaCl precipitant pH 4.8 Acetate as buffer with 10% glycerol, 10% DMSO and 0.2M LiSO4 in microbatch. |
