2BTZ
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 64 |
Unit cell lengths | 109.317, 109.317, 85.087 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
Rwork | 0.266 |
R-free | 0.29650 |
Structure solution method | MIRAS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.290 |
Data reduction software | HKL |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | CNX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.030 | 0.160 |
Number of reflections | 28844 | |
Completeness [%] | 97.9 | 99 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.8 | 277 | 100MM SODIUM ACETATE PH5.6-5.8 6-9% ISOPROPANOL 75-125 MM MGCL2 10MG/ML PROTEIN 4 DEGREES, pH 5.80 |