5X9P
Crystal structure of the BCL6 BTB domain in complex with Compound 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-23 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 66.550, 66.550, 153.090 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 1.860 |
| R-factor | 0.1911 |
| Rwork | 0.189 |
| R-free | 0.23463 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r28 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.695 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Number of reflections | 17116 | |
| <I/σ(I)> | 37.8 | 2 |
| Completeness [%] | 96.6 | 98.5 |
| Redundancy | 10.6 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Bis-Tris, potassium/sodium tartrate |
