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 |
