7ZWY
Crystal structure of human BCL6 BTB domain in complex with compound 21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 67.623, 67.623, 164.729 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.730 - 1.650 |
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 | 0.960 |
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] | 47.730 | 47.730 | 1.680 |
High resolution limit [Å] | 1.650 | 9.040 | 1.650 |
Rmerge | 0.127 | 0.076 | 2.351 |
Rmeas | 0.129 | 0.078 | 2.418 |
Rpim | 0.022 | 0.014 | 0.539 |
Total number of observations | 960042 | 6553 | 24321 |
Number of reflections | 27702 | 239 | 1290 |
<I/σ(I)> | 22.6 | 49.8 | 1.9 |
Completeness [%] | 99.8 | 99.5 | 97.8 |
Redundancy | 34.7 | 27.4 | 18.9 |
CC(1/2) | 0.999 | 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. |