7RUZ
Crystal structure of the BCL6 BTB domain in complex with OICR-8445
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 | 2012-06-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 30.593, 72.550, 55.409 |
| Unit cell angles | 90.00, 107.18, 90.00 |
Refinement procedure
| Resolution | 36.270 - 1.620 |
| R-factor | 0.1965 |
| Rwork | 0.195 |
| R-free | 0.23280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r29 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.299 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.280 | 1.710 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.052 | 0.386 |
| Rmeas | 0.072 | 0.505 |
| Rpim | 0.043 | 0.323 |
| Number of reflections | 14232 | 2085 |
| <I/σ(I)> | 14.6 | 3.2 |
| Completeness [%] | 97.5 | 97.9 |
| Redundancy | 4.1 | 4 |
| CC(1/2) | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 292 | sodium formate, sodium acetate, pH 4.8 |
