7Q7R
Crystal structure of human BCL6 BTB domain in complex with compound 1
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 | 2021-10-09 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 67.515, 67.515, 166.921 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.970 - 1.700 |
R-factor | 0.1946 |
Rwork | 0.194 |
R-free | 0.20580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bim |
RMSD bond length | 0.008 |
RMSD bond angle | 0.860 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4 (24-FEB-2021)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.890 | 47.890 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.079 | 0.037 | 2.540 |
Rmeas | 0.080 | 0.037 | 2.574 |
Rpim | 0.013 | 0.007 | 0.412 |
Total number of observations | 949436 | 6784 | 51168 |
Number of reflections | 25720 | 242 | 1337 |
<I/σ(I)> | 24.1 | 63.8 | 1.9 |
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 36.9 | 28 | 38.3 |
CC(1/2) | 0.999 | 0.999 | 0.813 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution. |