2AWP
Crystal structure of Plasmodium knowlesi structure of Iron Super-Oxide Dismutase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-08-05 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.240, 79.053, 88.672 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.1609 |
Rwork | 0.158 |
R-free | 0.22540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2AO3 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.355 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.157 | 0.578 |
Number of reflections | 26770 | |
<I/σ(I)> | 4.9 | 2.43 |
Completeness [%] | 99.1 | 90.7 |
Redundancy | 5 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.1 | 297 | 30%PEG4K,0.2M NH4 Acetate,0.1M Na Cacodylate,5mM MnCl2, pH 5.1, VAPOR DIFFUSION, temperature 297K |