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