3D2R
Crystal structure of pyruvate dehydrogenase kinase isoform 4 in complex with ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-03-28 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.595, 69.374, 82.328 |
| Unit cell angles | 90.00, 99.26, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.030 |
| R-factor | 0.18536 |
| Rwork | 0.183 |
| R-free | 0.23016 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2zkj |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.817 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.038 | 0.255 |
| Number of reflections | 50510 | |
| <I/σ(I)> | 30 | 4.7 |
| Completeness [%] | 99.5 | 99.4 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.9M ammonium sulfate, 4% polyethylene glycol 400, 100 mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
