2IK2
Yeast inorganic pyrophosphatase variant D115E with magnesium and phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-02-02 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.578, 93.366, 69.797 |
| Unit cell angles | 90.00, 99.86, 90.00 |
Refinement procedure
| Resolution | 19.880 - 1.800 |
| R-factor | 0.17728 |
| Rwork | 0.175 |
| R-free | 0.21652 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1huk |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.565 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.067 | 0.344 |
| Number of reflections | 58354 | |
| <I/σ(I)> | 18.5 | 2.8 |
| Completeness [%] | 96.8 | 93.6 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 277 | 16% MPD, 10 MM MGCL2, 1 MM PO4-, PH 6.0, VAPOR DIFFUSION, TEMPERATURE 277K, pH 6.00 |
