4A7V
Structure of human I113T SOD1 mutant complexed with dopamine in the p21 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-10 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.396, 68.035, 49.851 |
| Unit cell angles | 90.00, 104.82, 90.00 |
Refinement procedure
| Resolution | 48.190 - 1.000 |
| R-factor | 0.1591 |
| Rwork | 0.158 |
| R-free | 0.18083 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.728 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.040 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.050 | 0.590 |
| Number of reflections | 128603 | |
| <I/σ(I)> | 16.4 | 1.6 |
| Completeness [%] | 96.8 | 80.4 |
| Redundancy | 3.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 100 MM SODIUM ACETATE, 150 MM SODIUM CHLORIDE, 2.5 M AMMONIUM SULPHATE PH 5 |
