8ZM2
Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 16
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 64 |
| Unit cell lengths | 108.886, 108.886, 84.421 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 94.300 - 2.340 |
| R-factor | 0.2002 |
| Rwork | 0.199 |
| R-free | 0.21950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.422 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.300 | 2.390 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.066 | 0.985 |
| Rmeas | 0.069 | 1.032 |
| Rpim | 0.021 | 0.305 |
| Number of reflections | 24368 | 1776 |
| <I/σ(I)> | 23.4 | 2.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 11.2 | |
| CC(1/2) | 1.000 | 0.839 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 50mM Na acetate pH 5.5, 100mM magnesium chloride, 8% (v/v) isopropanol |
