7LWG
Crystal structure of the BCL6 BTB domain in complex with OICR-12694
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 | 2017-02-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.786, 72.939, 55.336 |
| Unit cell angles | 90.00, 106.32, 90.00 |
Refinement procedure
| Resolution | 53.110 - 1.300 |
| R-factor | 0.1462 |
| Rwork | 0.144 |
| R-free | 0.18360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3LB7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.261 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.110 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.066 | 0.432 |
| Rmeas | 0.075 | 0.495 |
| Rpim | 0.035 | 0.237 |
| Number of reflections | 57693 | 2862 |
| <I/σ(I)> | 9.4 | 2.9 |
| Completeness [%] | 97.0 | 94.5 |
| Redundancy | 4.4 | 4.2 |
| CC(1/2) | 0.997 | 0.868 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.2 | 293 | 10% PEG 6000, 0.1M Acetate:MES buffer pH 5.2, 10% DMSO, 50 mM CaCl2 with microseeding |
