5H7G
Crystal structure of the BCL6 BTB domain in complex with F1324
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 | 2013-09-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 103.797, 37.516, 82.594 |
Unit cell angles | 90.00, 112.94, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.850 |
R-factor | 0.24552 |
Rwork | 0.244 |
R-free | 0.28453 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r28 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.405 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.095 | 0.606 |
Number of reflections | 23655 | |
<I/σ(I)> | 10.5 | 1.3 |
Completeness [%] | 92.1 | 54.3 |
Redundancy | 3 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M imidazole pH 6.5, 0.2M lithium sulfate, 25% PEG 3350, 15% MPD |