3GQF
Structural and Biophysical Properties of the Pathogenic SOD1 Variant H46R/H48Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-04-05 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 112.576, 194.331, 143.179 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.070 - 2.200 |
| R-factor | 0.20699 |
| Rwork | 0.205 |
| R-free | 0.24229 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1azv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.293 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 79657 | |
| <I/σ(I)> | 14.7 | 2.9 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.5 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 297 | 20% polyethylene glycol 1000, imidazole pH 8.0, calcium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
