5N1Z
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine macrocyclic 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 | 2014-08-25 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 30.890, 71.890, 54.950 |
| Unit cell angles | 90.00, 105.92, 90.00 |
Refinement procedure
| Resolution | 13.570 - 1.810 |
| R-factor | 0.2178 |
| Rwork | 0.216 |
| R-free | 0.25030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| 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] | 35.960 | 2.030 |
| High resolution limit [Å] | 1.800 | 1.810 |
| Rmerge | 0.074 | 0.287 |
| Number of reflections | 10507 | |
| <I/σ(I)> | 10 | 3.4 |
| Completeness [%] | 98.3 | 99.3 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | unknown |
