3SO7
Organophoshatedegrading enzyme (OpdA)-phosphate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 109.189, 109.189, 62.932 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.240 - 2.200 |
| R-factor | 0.17511 |
| Rwork | 0.172 |
| R-free | 0.23341 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.770 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.560 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.105 | 0.321 |
| Number of reflections | 22261 | |
| <I/σ(I)> | 8.3 | 3.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.02 | 4.96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.4 M sodium potassium tartrate tetrahydrate pH 7.0., VAPOR DIFFUSION, HANGING DROP, temperature 18K, temperature 291K |
