3ECV
Crystal structure of the ALS-related pathological mutant I113T of human apo Cu,Zn Superoxide Dismutase (SOD1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-30 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54056 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 155.902, 34.403, 114.999 |
| Unit cell angles | 90.00, 112.10, 90.00 |
Refinement procedure
| Resolution | 38.950 - 1.900 |
| R-factor | 0.24162 |
| Rwork | 0.238 |
| R-free | 0.27687 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hl5 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.248 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.600 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.112 | 0.360 |
| Number of reflections | 44669 | |
| <I/σ(I)> | 6 | 3.8 |
| Completeness [%] | 98.4 | 90 |
| Redundancy | 5.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289.1 | 0.1 M MES 20% PEG 3350 , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289.1K |
