6TOI
Crystal structure of human BCL6 BTB domain in complex with compound 11f
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) | 0.9660 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 67.660, 67.660, 166.640 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.570 - 1.580 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.18400 |
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 |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.278 | 55.278 | 1.608 |
High resolution limit [Å] | 1.580 | 4.291 | 1.580 |
Rmerge | 0.091 | 0.039 | 0.769 |
Rmeas | 0.096 | 0.041 | 0.807 |
Rpim | 0.027 | 0.013 | 0.231 |
Number of reflections | 31728 | 1773 | 1556 |
<I/σ(I)> | 16.9 | ||
Completeness [%] | 99.9 | 98.6 | 99.5 |
Redundancy | 12.4 | 10.7 | 11.9 |
CC(1/2) | 0.999 | 0.999 | 0.352 |
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. |