2AU8
Catalytic intermediate structure of inorganic pyrophosphatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.05 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 110.661, 110.661, 73.970 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.650 |
| R-factor | 0.1651 |
| Rwork | 0.165 |
| R-free | 0.20780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i6t |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.042 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.047 | 0.460 |
| Number of reflections | 22184 | |
| <I/σ(I)> | 16.7 | 2.5 |
| Completeness [%] | 99.9 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | pH 5.0 |
