5N1X
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 | 2013-10-05 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | P 43 |
Unit cell lengths | 47.936, 47.936, 198.946 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.740 - 1.720 |
R-factor | 0.1841 |
Rwork | 0.182 |
R-free | 0.21380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.950 |
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] | 198.950 | 1.890 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.071 | 0.775 |
Number of reflections | 47127 | |
<I/σ(I)> | 22 | 3.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.3 | 13.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | unknown |