8VJ4
X-ray Counterpart to the Neutron Structure of Peroxide-Soaked Trp161Phe MnSOD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2019-03-22 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 77.656, 77.656, 234.194 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.830 - 1.680 |
R-factor | 0.1972 |
Rwork | 0.195 |
R-free | 0.24220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.054 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.720 |
High resolution limit [Å] | 1.680 | 1.680 |
Rpim | 0.056 | |
Number of reflections | 48362 | 4488 |
<I/σ(I)> | 11.41 | |
Completeness [%] | 99.3 | |
Redundancy | 5.3 | |
CC(1/2) | 0.920 | 0.769 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296 | 1.80 M Potassium Phosphate |