2IK9
Yeast inorganic pyrophosphatase variant D152E with magnesium and phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM1A |
| Synchrotron site | ESRF |
| Beamline | BM1A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-04-08 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.771, 93.224, 70.113 |
| Unit cell angles | 90.00, 100.01, 90.00 |
Refinement procedure
| Resolution | 19.870 - 1.500 |
| R-factor | 0.16034 |
| Rwork | 0.159 |
| R-free | 0.18256 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1huk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.301 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.035 | 0.154 |
| Number of reflections | 102428 | |
| <I/σ(I)> | 33.2 | 6.5 |
| Completeness [%] | 97.7 | 88.6 |
| Redundancy | 8.3 |
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 |
