5N20
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 | 2013-08-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 30.520, 71.660, 54.660 |
Unit cell angles | 90.00, 105.13, 90.00 |
Refinement procedure
Resolution | 15.250 - 1.380 |
R-factor | 0.2002 |
Rwork | 0.199 |
R-free | 0.22170 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.830 | 1.450 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.036 | 0.385 |
Number of reflections | 22955 | |
<I/σ(I)> | 13.7 | 2.3 |
Completeness [%] | 97.9 | 94.9 |
Redundancy | 3.2 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | unknown |