7KLB

X-ray Counterpart to Neutron Structure of Reduced 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	2019-02-15
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	81.127, 81.127, 242.156
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.460 - 2.160
R-factor	0.2126
Rwork	0.212
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vf9
RMSD bond length	0.004
RMSD bond angle	0.937
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.200
High resolution limit [Å]	2.160	2.160
Number of reflections	25718	953
<I/σ(I)>	4.8	2
Completeness [%]	97.5
Redundancy	7.6
CC(1/2)	0.804	0.638

Crystallization Conditions

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