6FOI
Human Cys57/156Ala superoxide dismutase-1 (SOD1), as isolated.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.650, 162.959, 174.601 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.480 - 2.000 |
| R-factor | 0.2227 |
| Rwork | 0.221 |
| R-free | 0.25941 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c9v |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.149 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.480 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.084 | 0.832 |
| Rmeas | 0.102 | 0.101 |
| Rpim | 0.056 | |
| Number of reflections | 144348 | 7089 |
| <I/σ(I)> | 12.3 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.1 | 5.7 |
| CC(1/2) | 0.998 | 0.783 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.2 M Lithium sulphate 24% w/v PEG 4000 0.1 M Tris-HCl pH 8.0 |
