1TWL
Inorganic pyrophosphatase from Pyrococcus furiosus Pfu-264096-001
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 113.434, 113.434, 73.313 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.361 - 2.201 |
| R-factor | 0.19657 |
| Rwork | 0.194 |
| R-free | 0.25740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ude |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.311 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (refmac_5.2.0003) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.730 | 2.200 |
| Rmerge | 0.082 | 0.052 | 0.381 |
| Number of reflections | 9314 | ||
| Completeness [%] | 100.0 | 100 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.6 | 291 | 1.5M K2HPO4, 0.1M TRIS-HCL, pH 8.6, modified microbatch, temperature 291K |
