7ZWZ
Crystal structure of human BCL6 BTB domain in complex with compound 22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-28 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 67.526, 67.526, 165.525 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.760 - 1.400 |
| R-factor | 0.168 |
| Rwork | 0.168 |
| R-free | 0.17500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bim |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| 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] | 47.760 | 47.760 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
| Rmerge | 0.105 | 0.058 | 2.918 |
| Rmeas | 0.108 | 0.061 | 3.007 |
| Rpim | 0.026 | 0.016 | 0.721 |
| Total number of observations | 758670 | 4861 | 36852 |
| Number of reflections | 44966 | 374 | 2180 |
| <I/σ(I)> | 16.3 | 44 | 1.4 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 16.9 | 13 | 16.9 |
| CC(1/2) | 0.998 | 0.998 | 0.623 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution. |
