5X4N
Crystal structure of the BCL6 BTB domain in complex with Compound 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-15 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 66.602, 66.602, 154.609 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 1.940 |
| R-factor | 0.18883 |
| Rwork | 0.188 |
| R-free | 0.20934 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r28 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.419 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Number of reflections | 15813 | |
| <I/σ(I)> | 37.2 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Bis-Tris, potassium/sodium tartrate |
