1E9G
STRUCTURE OF INORGANIC PYROPHOSPHATASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-09-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.318, 103.087, 116.518 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wgj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.026 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.075 | 0.370 |
| Number of reflections | 212495 | |
| <I/σ(I)> | 11.95 | 3 |
| Completeness [%] | 85.4 | 75.5 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6 | Heikinheimo, P., (1996) Structure, 4, 1491. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | MPD | 17 (%) | |
| 2 | 1 | reservoir | MES | 30 (mM) | |
| 3 | 1 | reservoir | 1 (mM) | ||
| 4 | 1 | reservoir | sodium hydrogen phosphate | 1 (mM) | |
| 5 | 1 | reservoir | MPD | 19 (%) |
