1YYD
High Resolution Crystal Structure of Manganese Peroxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 110 |
| Detector technology | AREA DETECTOR |
| Detector | SIEMENS-NICOLET |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.967, 45.423, 52.930 |
| Unit cell angles | 90.00, 96.89, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.450 |
| R-factor | 0.1802 |
| Rwork | 0.141 |
| R-free | 0.22650 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1mnp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.027 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 65426 | |
| <I/σ(I)> | 20.1 | 1.6 |
| Completeness [%] | 97.0 | 82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG 8000. sodium cacodylate, manganese chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
