5K02
Structure of human SOD1 with T2D mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-02 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 |
| Unit cell lengths | 111.980, 111.961, 149.880 |
| Unit cell angles | 89.86, 89.85, 60.13 |
Refinement procedure
| Resolution | 149.920 - 1.990 |
| R-factor | 0.14693 |
| Rwork | 0.146 |
| R-free | 0.16198 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CU ZN SUPEROXIDE DISMUTASE (PDB ID: 1SPD) |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.084 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 149.920 | 50.000 | 2.140 |
| High resolution limit [Å] | 2.000 | 5.700 | 2.100 |
| Rmerge | 0.061 | 0.034 | 0.543 |
| Number of reflections | 431865 | ||
| <I/σ(I)> | 14.3 | ||
| Completeness [%] | 80.4 | 98.9 | 77.8 |
| Redundancy | 2.5 | 3.1 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | T2D was crystallized in a buffer of 2 M (NH4)2SO4, 0.1 M Sodium Cacodylate, 20% MPD and 10 mM ZnCl2 (pH 6.5) after a period of approximately 5 months. |
