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 |
