7ZWS
Crystal structure of human BCL6 BTB domain in complex with compound 13
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 | 67.110, 67.110, 164.380 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.390 - 1.530 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.17800 |
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 | Outer shell | |
Low resolution limit [Å] | 58.119 | 1.556 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.108 | 0.835 |
Number of reflections | 33926 | 1628 |
<I/σ(I)> | 11.4 | 2.2 |
Completeness [%] | 99.9 | |
Redundancy | 8.4 | |
CC(1/2) | 0.996 | 0.335 |
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. |