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 |