8VHW
Neutron Structure of Peroxide-Soaked 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 | 2019-11-14 |
Detector | ORNL ANGER CAMERA |
Wavelength(s) | 2-4 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 77.800, 77.800, 236.800 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.820 - 2.300 |
R-factor | 0.2497 |
Rwork | 0.248 |
R-free | 0.27720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.582 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.820 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rpim | 0.086 | 0.102 |
Number of reflections | 19467 | 1855 |
<I/σ(I)> | 9.7 | 5.6 |
Completeness [%] | 99.0 | |
Redundancy | 9.7 | |
CC(1/2) | 0.919 | 0.607 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 296 | 1.93 M Potassium Phosphate |