4RPA
Crystal structure of inorganic pyrophosphatase from Staphylococcus aureus in complex with Mn2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-07-12 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 99.406, 99.406, 425.285 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.100 |
| R-factor | 0.22181 |
| Rwork | 0.220 |
| R-free | 0.24922 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID: 1K23 each domain individually sequentially |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.022 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.100 |
| Number of reflections | 74109 |
| Completeness [%] | 100.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 1.32 M ammonium citrate tribasic, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
