4L2B
X-ray structure of the C57S mutant of the iron superoxide dismutase from Pseudoalteromonas haloplanktis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-11 |
Detector | RIGAKU SATURN 944 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.717, 103.436, 50.535 |
Unit cell angles | 90.00, 107.97, 90.00 |
Refinement procedure
Resolution | 27.500 - 1.970 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.500 | 2.040 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.099 | 0.269 |
Number of reflections | 30651 | |
<I/σ(I)> | 9 | 3 |
Completeness [%] | 95.0 | 90 |
Redundancy | 3.5 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.2 | 293 | Ammonium sulphate 2.0 M, NaCl 0.1 M, Hepes 0.1 M, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |