7OKD
Crystal structure of human BCL6 BTB domain in complex with compound 25
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 EIGER2 XE 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 67.520, 67.520, 167.190 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.340 - 1.940 |
| R-factor | 0.182 |
| Rwork | 0.181 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bim |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Data reduction software | XDS |
| 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] | 47.920 | 47.920 | 1.990 |
| High resolution limit [Å] | 1.940 | 9.100 | 1.940 |
| Rmerge | 0.095 | 0.038 | 2.403 |
| Rmeas | 0.099 | 0.040 | 2.505 |
| Rpim | 0.027 | 0.012 | 0.700 |
| Total number of observations | 224524 | 2281 | 14366 |
| Number of reflections | 17565 | 238 | 1159 |
| <I/σ(I)> | 14.1 | 37.1 | 1.3 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 12.8 | 9.6 | 12.4 |
| CC(1/2) | 0.999 | 0.999 | 0.629 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 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. |
