2BU2
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 | 108.703, 108.703, 83.855 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.400 |
Rwork | 0.238 |
R-free | 0.24650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2btz |
RMSD bond length | 0.009 |
RMSD bond angle | 1.635 |
Data reduction software | HKL |
Data scaling software | SCALEPACK |
Phasing software | CNX |
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 | 0.050 | 0.310 |
Number of reflections | 21971 | |
<I/σ(I)> | 21.2 | 3.91 |
Completeness [%] | 98.5 | 96.2 |
Redundancy | 3.44 | 3.16 |
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 |