7OKI
Crystal structure of human BCL6 BTB domain in complex with compound 12b
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 | 2016-08-27 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 67.900, 67.900, 166.030 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 55.430 - 1.610 |
R-factor | 0.164 |
Rwork | 0.162 |
R-free | 0.18900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bim |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.800 | 1.636 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.108 | 0.805 |
Number of reflections | 29885 | 1392 |
<I/σ(I)> | 12.3 | 2.5 |
Completeness [%] | 98.5 | |
Redundancy | 7.3 | |
CC(1/2) | 0.998 | 0.391 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 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. |