1I40
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 | 1999-06-21 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.906 |
Spacegroup name | H 3 2 |
Unit cell lengths | 109.520, 109.520, 75.080 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 12.000 - 1.100 |
R-factor | 0.117 |
Rwork | 0.117 |
R-free | 0.15300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 * |
RMSD bond angle | 0.038 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXL-97 |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.060 |
High resolution limit [Å] | 1.100 * | 1.100 * |
Rmerge | 0.034 | 0.350 * |
Total number of observations | 662283 * | |
Number of reflections | 79833 | |
<I/σ(I)> | 15.9 | 2.6 |
Completeness [%] | 99.6 | 99.7 * |
Redundancy | 8.3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
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 |