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 |