4YIP
X-ray structure of the iron/manganese cambialistic superoxide dismutase from Streptococcus mutans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-21 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.964, 82.879, 72.779 |
| Unit cell angles | 90.00, 94.25, 90.00 |
Refinement procedure
| Resolution | 31.390 - 2.150 |
| R-factor | 0.19671 |
| Rwork | 0.193 |
| R-free | 0.25854 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lio |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.731 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.135 | 0.647 |
| Number of reflections | 43458 | |
| <I/σ(I)> | 8.4 | 2.6 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 28-33% PEG 8000, 0.1 M sodium cacodylate buffer at pH 6.0, 3% acetonitrile |
