5N21
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-04-14 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 30.400, 38.970, 54.930 |
Unit cell angles | 83.36, 75.39, 67.21 |
Refinement procedure
Resolution | 19.830 - 1.580 |
R-factor | 0.1646 |
Rwork | 0.163 |
R-free | 0.19150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.920 | 1.660 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.056 | 0.343 |
Number of reflections | 29482 | |
<I/σ(I)> | 7.4 | 2 |
Completeness [%] | 94.9 | 85.2 |
Redundancy | 2.1 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | unknown |