1I74
STREPTOCOCCUS MUTANS INORGANIC PYROPHOSPHATASE
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-06-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9050, 0.9767, 0.9774 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.600, 95.300, 95.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.760 - 2.200 |
| R-factor | 0.217 * |
| Rwork | 0.209 |
| R-free | 0.25700 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.760 | 19.760 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.257 |
| Total number of observations | 130000 * | |
| Number of reflections | 38000 | |
| <I/σ(I)> | 12.5 | |
| Completeness [%] | 99.0 | 91.6 |
| Redundancy | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.2 | 298 | PEG MME 5000, (NH4)2(SO4), MgCl2, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 42 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 150 (mM) | |
| 3 | 1 | drop | 15 (mM) | ||
| 4 | 1 | reservoir | PEG5000 MME | 30 (%) | |
| 5 | 1 | reservoir | MES-NaOH | 100 (mM) | |
| 6 | 1 | reservoir | ammonium sulfate | 200 (mM) |
