7OKF
Crystal structure of human BCL6 BTB domain in complex with compound 8c
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-07 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.5419 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 67.270, 67.270, 165.417 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.630 - 1.600 |
R-factor | 0.167 |
Rwork | 0.167 |
R-free | 0.17800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bim |
RMSD bond length | 0.010 |
RMSD bond angle | 0.950 |
Data reduction software | DIALS |
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] | 33.720 | 33.720 | 1.630 |
High resolution limit [Å] | 1.600 | 8.620 | 1.600 |
Rmerge | 0.099 | 0.037 | 1.396 |
Rmeas | 0.102 | 0.038 | 1.483 |
Rpim | 0.025 | 0.008 | 0.496 |
Total number of observations | 435154 | 4525 | 13290 |
Number of reflections | 30154 | 249 | 1500 |
<I/σ(I)> | 16.5 | 53.9 | 1.6 |
Completeness [%] | 99.9 | 98.8 | 99.5 |
Redundancy | 14.4 | 18.2 | 8.9 |
CC(1/2) | 0.998 | 0.999 | 0.409 |
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. |