5H7G
Crystal structure of the BCL6 BTB domain in complex with F1324
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.797, 37.516, 82.594 |
| Unit cell angles | 90.00, 112.94, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.850 |
| R-factor | 0.24552 |
| Rwork | 0.244 |
| R-free | 0.28453 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r28 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.405 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.095 | 0.606 |
| Number of reflections | 23655 | |
| <I/σ(I)> | 10.5 | 1.3 |
| Completeness [%] | 92.1 | 54.3 |
| Redundancy | 3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M imidazole pH 6.5, 0.2M lithium sulfate, 25% PEG 3350, 15% MPD |
