8Q6M
Human SOD1 low dose data collecton
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-17 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.260, 68.010, 52.580 |
| Unit cell angles | 90.00, 106.28, 90.00 |
Refinement procedure
| Resolution | 35.338 - 1.770 |
| Rwork | 0.209 |
| R-free | 0.25050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.659 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.690 | 37.690 | 1.810 |
| High resolution limit [Å] | 1.770 | 9.030 | 1.770 |
| Rmerge | 0.135 | 0.088 | 0.411 |
| Rmeas | 0.184 | 0.123 | 0.569 |
| Rpim | 0.125 | 0.086 | 0.393 |
| Number of reflections | 25235 | 598 | 4774 |
| <I/σ(I)> | 3.9 | ||
| Completeness [%] | 97.3 | ||
| Redundancy | 3.3 | 2.9 | 3.3 |
| CC(1/2) | 0.974 | 0.988 | 0.649 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.75 | 293 | 2.5 M Ammonium sulphate, Acetate buffer pH 4.75 |
