8VHY
Neutron Structure of Reduced 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] | 100 |
Detector technology | DIFFRACTOMETER |
Collection date | 2022-01-22 |
Detector | ORNL ANGER CAMERA |
Wavelength(s) | 2-4 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 78.110, 78.110, 236.320 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.740 - 2.300 |
R-factor | 0.2776 |
Rwork | 0.276 |
R-free | 0.30490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.529 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.740 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rpim | 0.122 | |
Number of reflections | 18253 | 1632 |
<I/σ(I)> | 4.8 | 3.1 |
Completeness [%] | 92.6 | |
Redundancy | 4.2 | |
CC(1/2) | 0.840 | 0.407 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296 | 1.93 M Potassium Phosphate |