4QMB
The structure of inorganic pyrophosphatase from Schistosoma japonicum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9707 |
| Spacegroup name | P 32 |
| Unit cell lengths | 75.750, 75.750, 122.962 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.875 - 2.603 |
| R-factor | 0.2075 |
| Rwork | 0.202 |
| R-free | 0.26310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e9g |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.467 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.880 | 2.696 |
| High resolution limit [Å] | 2.603 | 2.603 |
| Number of reflections | 24093 | |
| Completeness [%] | 99.7 | 99.33 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 296 | 0.1M Tris-HCl pH 6.8, 2M NH4SO4, 0.04M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 296.0K |
