1I6T
STRUCTURE OF INORGANIC PYROPHOSPHATASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-11-22 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.906 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 109.356, 109.356, 75.582 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 12.000 - 1.200 |
| R-factor | 0.129 |
| Rwork | 0.129 |
| R-free | 0.17000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1igp |
| RMSD bond length | 0.015 * |
| RMSD bond angle | 0.030 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.210 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.036 | 0.470 * |
| Total number of observations | 640235 * | |
| Number of reflections | 51915 * | |
| <I/σ(I)> | 17.1 | 3.6 |
| Completeness [%] | 96.1 | 91.7 * |
| Redundancy | 12.3 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | NULL, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5-8 (mg/ml) | |
| 2 | 1 | drop | 1 (M) | ||
| 3 | 1 | drop | 180 (mM) | ||
| 4 | 1 | drop | sodium acetate | 0.2 (M) | pH5.0 |
| 5 | 1 | reservoir | 1.4-2.0 (M) | ||
| 6 | 1 | reservoir | 180 (mM) | ||
| 7 | 1 | reservoir | sodium acetate | 0.2 (M) | pH5.0 |
