3DC6
Crystal Structure of a manganese superoxide dismutases from Caenorhabditis elegans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.060 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 80.980, 80.980, 137.444 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.990 - 1.800 |
| R-factor | 0.17079 |
| Rwork | 0.169 |
| R-free | 0.20121 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | C. Elegans MnSOD3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.109 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.840 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.056 | 0.144 |
| Number of reflections | 41573 | |
| <I/σ(I)> | 8.7 | 8.5 |
| Completeness [%] | 97.2 | 98.9 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.2 | 291 | 3M ammonium sulphate, 0.1M bicine, pH9.2, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
