2IK4
Yeast inorganic pyrophosphatase variant D117E 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 | 2001-10-10 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.763, 93.230, 69.215 |
| Unit cell angles | 90.00, 99.58, 90.00 |
Refinement procedure
| Resolution | 19.880 - 1.800 |
| R-factor | 0.16297 |
| Rwork | 0.162 |
| R-free | 0.18963 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1huk |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.410 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.056 | 0.323 |
| Number of reflections | 59558 | |
| <I/σ(I)> | 9.8 | 2.4 |
| Completeness [%] | 99.3 | 98.1 |
| Redundancy | 3.5 |
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 |
