6TON
Crystal structure of human BCL6 BTB domain in complex with compound 25b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-17 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 67.503, 67.503, 170.053 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.700 - 2.360 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bim |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.170 | 48.170 | 2.450 |
| High resolution limit [Å] | 2.360 | 8.830 | 2.360 |
| Rmerge | 0.300 | 0.046 | 3.283 |
| Rmeas | 0.311 | 0.048 | 3.397 |
| Rpim | 0.080 | 0.013 | 0.853 |
| Total number of observations | 146662 | 3114 | 15662 |
| Number of reflections | 10122 | 256 | 1011 |
| <I/σ(I)> | 7.6 | 18.5 | 1.4 |
| Completeness [%] | 99.8 | 98.2 | 98.8 |
| Redundancy | 14.5 | 12.2 | 15.5 |
| CC(1/2) | 0.996 | 0.999 | 0.411 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution. |
