8VJ8

X-ray Counterpart to Neutron Structure of Reduced Trp161Phe MnSOD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-03-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	77.909, 77.909, 235.138
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.950 - 1.700
R-factor	0.1929
Rwork	0.191
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.692
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.740
High resolution limit [Å]	1.700	1.700
Rpim	0.036	0.036
Number of reflections	46105	4101
<I/σ(I)>	16.51
Completeness [%]	97.6
Redundancy	9.8
CC(1/2)	0.950	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	1.8 M Potassium Phosphate