9XJI
Cryogenic structure of SOD1, determined as the SSX counterpart
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 | 2023-12-01 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 63 |
| Unit cell lengths | 112.610, 112.610, 70.117 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.760 - 2.370 |
| R-factor | 0.2219 |
| Rwork | 0.221 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.614 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.830 | 2.330 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.143 | |
| Number of reflections | 23325 | 1152 |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 21.01 | |
| CC(1/2) | 0.990 | 0.397 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Ammonium sulfate, sodium acetate, PVP-K15 |
