2NNX
Crystal Structure of the H46R, H48Q double mutant of human [Cu-Zn] Superoxide Dismutase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-10-16 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.471, 63.549, 85.105 |
| Unit cell angles | 90.00, 116.05, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.18919 |
| Rwork | 0.186 |
| R-free | 0.24114 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1azv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.378 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 32846 | |
| <I/σ(I)> | 15.8 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | 25% PEG 550MME, 0.1M MES, 0.01M zinc sulfate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
