7KKU

X-ray Counterpart to Neutron Structure of Oxidized Human MnSOD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	296
Detector technology	IMAGE PLATE
Collection date	2018-11-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	81.138, 81.138, 241.631
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.270 - 2.020
R-factor	0.2189
Rwork	0.217
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vf9
RMSD bond length	0.002
RMSD bond angle	0.472
Data reduction software	HKL-3000
Data scaling software	SCALA
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.020	2.020
Rmeas	0.291	0.610
Number of reflections	31815	2059
<I/σ(I)>	8.3
Completeness [%]	100.0
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	296	1.93 M Potassium Phosphate