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 |