8VJ0
Neutron Structure of Oxidized Trp161Phe MnSOD
Experimental procedure
Experimental method | LAUE |
Source type | SPALLATION SOURCE |
Source details | ORNL Spallation Neutron Source BEAMLINE MANDI |
Synchrotron site | ORNL Spallation Neutron Source |
Beamline | MANDI |
Temperature [K] | 296 |
Detector technology | DIFFRACTOMETER |
Collection date | 2023-09-01 |
Detector | ORNL ANGER CAMERA |
Wavelength(s) | 2-4 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 80.750, 80.750, 239.430 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.890 - 2.300 |
R-factor | 0.281 |
Rwork | 0.280 |
R-free | 0.30890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.529 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.890 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rpim | 0.083 | 0.125 |
Number of reflections | 20489 | 1972 |
<I/σ(I)> | 5.9 | 3.8 |
Completeness [%] | 96.6 | |
Redundancy | 6 | |
CC(1/2) | 0.978 | 0.368 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296 | 1.93 M Potassium Phosphate |