9PZL
Pyruvate phosphate dikinase in complex with AMP-PNP and sulfate ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-07-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 108.695, 118.475, 170.806 |
| Unit cell angles | 90.00, 90.40, 90.00 |
Refinement procedure
| Resolution | 47.533 - 3.000 |
| R-factor | 0.2245 |
| Rwork | 0.219 |
| R-free | 0.30210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.252 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 3.060 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.050 | 0.208 |
| Number of reflections | 86567 | 4453 |
| <I/σ(I)> | 12.9 | |
| Completeness [%] | 99.4 | 96.2 |
| Redundancy | 2.3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 303 | PPDK 25mg/ml with 5mM MgCl2 + 5 mM AMPPNP in 2.3 M ammonium sulfate, 0.1 Na Hepes. Protein solution in 20 mM imidazole buffer, pH 6.5, 100 mM KCl, 0.1 mM EDTA and 1 mM mercaptoethanol |
