7ZWW
Crystal structure of human BCL6 BTB domain in complex with compound 18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 67.600, 67.600, 166.700 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.950 - 1.670 |
| R-factor | 0.191 |
| Rwork | 0.190 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bim |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.910 | 47.910 | 1.700 |
| High resolution limit [Å] | 1.670 | 8.990 | 1.670 |
| Rmerge | 0.051 | 0.027 | 2.230 |
| Rmeas | 0.053 | 0.028 | 2.349 |
| Rpim | 0.015 | 0.009 | 0.726 |
| Total number of observations | 326594 | 2389 | 14033 |
| Number of reflections | 27141 | 243 | 1374 |
| <I/σ(I)> | 19.4 | 77 | 0.9 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 12 | 9.8 | 10.2 |
| CC(1/2) | 0.999 | 0.999 | 0.479 |
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. |
