2CW3
X-ray structure of PmSOD2, superoxide dismutase from Perkinsus marinus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.430, 73.894, 94.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.210 - 2.500 |
| R-factor | 0.18549 |
| Rwork | 0.182 |
| R-free | 0.25712 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.408 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.500 | 2.570 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.330 | |
| Number of reflections | 17174 | |
| <I/σ(I)> | 20 | 2.6 |
| Completeness [%] | 96.7 | 92.9 |
| Redundancy | 8 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | 0.17M Sodium Acetate trihydrate, 0.085M Tris Hydrochloride at pH 8.5, 25.5% w/v PEG 4000 and 15% glycerol, VAPOR DIFFUSION, temperature 298K |
