3K9S
Crystal structure of the peroxide-bound manganese superoxide dismutase.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-11-08 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.08 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 100.849, 107.418, 180.044 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.300 - 1.550 |
| R-factor | 0.22926 |
| Rwork | 0.227 |
| R-free | 0.26998 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d5n |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.323 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.300 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 139669 | |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 99.2 | 82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 50 mM Bicine pH 8.5, 25% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
