6TOF
Crystal structure of human BCL6 BTB domain in complex with compound 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 66.222, 66.222, 151.270 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.110 - 1.670 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bim |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| 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] | 37.870 | 37.870 | 1.700 |
| High resolution limit [Å] | 1.670 | 8.980 | 1.670 |
| Rmerge | 0.167 | 0.130 | 4.362 |
| Rmeas | 0.173 | 0.136 | 4.533 |
| Rpim | 0.044 | 0.038 | 1.222 |
| Total number of observations | 353968 | 2371 | 16339 |
| Number of reflections | 23741 | 215 | 1190 |
| <I/σ(I)> | 8.2 | 21.1 | 0.5 |
| Completeness [%] | 100.0 | 99 | 100 |
| Redundancy | 14.9 | 11 | 13.7 |
| CC(1/2) | 0.994 | 0.989 | 0.454 |
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. |
