7KKU
X-ray Counterpart to Neutron Structure of Oxidized Human MnSOD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 296 |
Detector technology | IMAGE PLATE |
Collection date | 2018-11-20 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 81.138, 81.138, 241.631 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.270 - 2.020 |
R-factor | 0.2189 |
Rwork | 0.217 |
R-free | 0.25170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vf9 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.472 |
Data reduction software | HKL-3000 |
Data scaling software | SCALA |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmeas | 0.291 | 0.610 |
Number of reflections | 31815 | 2059 |
<I/σ(I)> | 8.3 | |
Completeness [%] | 100.0 | |
Redundancy | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 296 | 1.93 M Potassium Phosphate |