7ZWT
Crystal structure of human BCL6 BTB domain in complex with compound 14
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 | 2019-12-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 67.609, 67.609, 166.066 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 17.690 - 1.940 |
| R-factor | 0.221 |
| Rwork | 0.219 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bim |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| 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] | 55.220 | 55.220 | 2.050 |
| High resolution limit [Å] | 1.940 | 6.140 | 1.940 |
| Rmerge | 0.183 | 0.127 | 0.829 |
| Rmeas | 0.192 | 0.133 | 0.925 |
| Rpim | 0.057 | 0.037 | 0.396 |
| Total number of observations | 136796 | 6909 | 12391 |
| Number of reflections | 16240 | 654 | 2472 |
| <I/σ(I)> | 6.6 | 12.3 | 1.5 |
| Completeness [%] | 93.2 | 99.9 | 99.9 |
| Redundancy | 8.4 | 10.6 | 5 |
| CC(1/2) | 0.992 | 0.992 | 0.499 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution. |
