2Q8F
Structure of pyruvate dehydrogenase kinase isoform 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-26 |
| Detector | SBC-3 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 98.190, 98.190, 110.403 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.110 - 2.030 |
| R-factor | 0.19151 |
| Rwork | 0.190 |
| R-free | 0.21248 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y8p |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.527 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.045 | 0.536 |
| Number of reflections | 34783 | |
| <I/σ(I)> | 11.7 | 2.6 |
| Completeness [%] | 97.6 | 96.7 |
| Redundancy | 9.2 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.42 M NaK tartrate, 0.1 M Na citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
