7LWF
Crystal structure of the BCL6 BTB domain in complex with OICR-9320
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 | 2013-06-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 30.473, 72.420, 55.592 |
| Unit cell angles | 90.00, 106.31, 90.00 |
Refinement procedure
| Resolution | 29.960 - 1.220 |
| R-factor | 0.1466 |
| Rwork | 0.145 |
| R-free | 0.16680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lbz |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.540 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.210 | 1.224 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Rmerge | 0.027 | 0.393 |
| Rmeas | 0.032 | 0.456 |
| Rpim | 0.022 | 0.303 |
| Number of reflections | 34189 | 336 |
| <I/σ(I)> | 18.7 | 2.2 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG, citrate cocrystallization, crystal soaked with Hepes pH 7.4, 20% glycerol, ligand prior to freezing. |
