4A7U
Structure of human I113T SOD1 complexed with adrenaline 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 | 38.300, 68.100, 50.200 |
| Unit cell angles | 90.00, 104.70, 90.00 |
Refinement procedure
| Resolution | 37.050 - 0.980 |
| R-factor | 0.13881 |
| Rwork | 0.138 |
| R-free | 0.15349 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.711 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 0.920 |
| High resolution limit [Å] | 0.900 | 0.900 |
| Rmerge | 0.040 | 0.570 |
| Number of reflections | 154810 | |
| <I/σ(I)> | 14.7 | 1.6 |
| Completeness [%] | 84.3 | 25.3 |
| Redundancy | 3.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 100 MM SODIUM ACETATE, 150 MM SODIUM CHLORIDE, 2.5 AMMONIUM SULPHATE PH 5 |
