5X9O
Crystal structure of the BCL6 BTB domain in complex with Compound 1a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-24 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 66.618, 66.618, 151.996 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 1.580 |
| R-factor | 0.20001 |
| Rwork | 0.199 |
| R-free | 0.21329 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r28 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.643 |
| 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 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Number of reflections | 27912 | |
| <I/σ(I)> | 26.8 | 1.7 |
| Completeness [%] | 98.8 | 95.5 |
| Redundancy | 9.2 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Bis-Tris, potassium/sodium tartrate |
