2BU6
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 64 |
Unit cell lengths | 108.873, 108.873, 84.202 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.400 |
Rwork | 0.247 |
R-free | 0.26140 |
Structure solution method | OTHER |
RMSD bond length | 0.008 |
RMSD bond angle | 1.309 |
Data reduction software | HKL |
Data scaling software | SCALEPACK |
Refinement software | CNX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.060 | 0.240 |
Number of reflections | 21614 | |
<I/σ(I)> | 20.49 | 6.38 |
Completeness [%] | 97.1 | 98.5 |
Redundancy | 3.82 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.8 | 277 | 100MM MES PH5.8-6, 10% ISOPROPANOL, 200MM CALCIUM ACETATE, 10MG/ML PROTEIN 4 DEGREES, pH 5.80 |