6TOM
Crystal structure of human BCL6 BTB domain in complex with compound 1
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 | 67.279, 67.279, 166.379 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.420 - 1.900 |
| R-factor | 0.198 |
| Rwork | 0.197 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bim |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| 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] | 47.720 | 47.720 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.098 | 0.035 | 2.021 |
| Rmeas | 0.103 | 0.036 | 2.106 |
| Rpim | 0.030 | 0.011 | 0.585 |
| Total number of observations | 221388 | 2314 | 14715 |
| Number of reflections | 18447 | 232 | 1159 |
| <I/σ(I)> | 11.4 | 42.4 | 0.9 |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 12 | 10 | 12.7 |
| CC(1/2) | 0.998 | 0.999 | 0.558 |
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. |
