8CCX
Human SOD1 in complex with S-XL6 cross-linker
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-16 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.810, 68.020, 50.690 |
| Unit cell angles | 90.00, 105.85, 90.00 |
Refinement procedure
| Resolution | 37.362 - 1.665 |
| Rwork | 0.184 |
| R-free | 0.23270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c9v |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.605 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.362 | 1.690 |
| High resolution limit [Å] | 1.665 | 1.670 |
| Rmerge | 0.145 | 0.417 |
| Rmeas | 0.197 | 0.578 |
| Rpim | 0.133 | 0.399 |
| Number of reflections | 28274 | 1412 |
| <I/σ(I)> | 83.8 | |
| Completeness [%] | 95.2 | |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.970 | 0.757 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.75 | 293 | 2.5M ammonium sulphate, 150mM NaCl, sodium acetate pH 4.75 |
