7ZWQ
Crystal structure of human BCL6 BTB domain in complex with compound 10
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 | 67.160, 67.160, 165.130 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.990 - 1.650 |
| R-factor | 0.184 |
| Rwork | 0.183 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bim |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | DIALS |
| 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] | 47.550 | 47.550 | 1.680 |
| High resolution limit [Å] | 1.650 | 9.040 | 1.650 |
| Rmerge | 0.064 | 0.048 | 3.066 |
| Rmeas | 0.067 | 0.050 | 3.232 |
| Rpim | 0.019 | 0.015 | 1.008 |
| Total number of observations | 329181 | 2349 | 13334 |
| Number of reflections | 27423 | 223 | 1330 |
| <I/σ(I)> | 15.8 | 49.7 | 0.8 |
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 12 | 10.5 | 10 |
| CC(1/2) | 0.999 | 0.998 | 0.343 |
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. |
