3M5Q
0.93 A Structure of Manganese-Bound Manganese Peroxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-06-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.08 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.570, 45.300, 52.830 |
| Unit cell angles | 90.00, 97.31, 90.00 |
Refinement procedure
| Resolution | 8.000 - 0.930 |
| Rwork | 0.107 |
| R-free | 0.13400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1yyd |
| RMSD bond length | 0.018 |
| RMSD bond angle | 0.033 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXL-97 |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 160.000 | 0.950 |
| High resolution limit [Å] | 0.930 | 0.930 |
| Number of reflections | 264958 | |
| <I/σ(I)> | 26.3 | 1.9 |
| Completeness [%] | 93.0 | 93 |
| Redundancy | 4.9 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 20% PEG 8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate, pH 6.5, Vapor diffusion, hanging drop, temperature 298K |
