6F7B
Crystal structure of the human Bub1 kinase domain in complex with BAY 1816032
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 50.497, 60.093, 124.469 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.790 - 2.000 |
R-factor | 0.201 |
Rwork | 0.198 |
R-free | 0.25374 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.497 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.790 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.049 | |
Number of reflections | 26378 | |
<I/σ(I)> | 21.6 | |
Completeness [%] | 100.0 | |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.26 | 277 | 200mM MgCl2, 100mM Tris-HCl pH 7.26, 5% glycerol, 20% PEG 3350 |