7Q7S
Crystal structure of human BCL6 BTB domain in complex with compound 4
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 | 2016-10-27 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 67.200, 67.200, 165.142 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.570 - 1.440 |
| R-factor | 0.1845 |
| Rwork | 0.184 |
| R-free | 0.20020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bim |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (24-FEB-2021)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.570 | 47.570 | 1.460 |
| High resolution limit [Å] | 1.440 | 7.890 | 1.440 |
| Rmerge | 0.122 | 0.054 | 2.194 |
| Rmeas | 0.128 | 0.057 | 2.309 |
| Rpim | 0.037 | 0.018 | 0.683 |
| Total number of observations | 452758 | 2913 | 21721 |
| Number of reflections | 40751 | 329 | 1993 |
| <I/σ(I)> | 12.9 | 40.8 | 1.1 |
| Completeness [%] | 99.7 | 97.2 | 99.8 |
| Redundancy | 11.1 | 8.9 | 10.9 |
| CC(1/2) | 0.998 | 0.998 | 0.367 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING 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. |
