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 |
