7ZWV
Crystal structure of human BCL6 BTB domain in complex with compound 17
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 | 2016-05-01 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 67.231, 67.231, 165.202 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.690 - 1.520 |
| R-factor | 0.166 |
| Rwork | 0.166 |
| R-free | 0.17000 |
| 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 (0.5.25) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.590 | 47.590 | 1.570 |
| High resolution limit [Å] | 1.520 | 5.890 | 1.520 |
| Rmerge | 0.099 | 0.046 | 2.846 |
| Rmeas | 0.102 | 0.047 | 2.924 |
| Rpim | 0.023 | 0.011 | 0.669 |
| Total number of observations | 664785 | 12298 | 63033 |
| Number of reflections | 34987 | 753 | 3345 |
| <I/σ(I)> | 17.4 | 58.1 | 1.2 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 19 | 16.3 | 18.8 |
| CC(1/2) | 1.000 | 0.999 | 0.527 |
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. |
