5X2J

Crystal structure of a recombinant hybrid manganese superoxide dismutase from Staphylococcus equorum and Staphylococcus saprophyticus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	57.362, 57.362, 105.762
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.210 - 1.400
R-factor	0.144
Rwork	0.142
R-free	0.18530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rcv
RMSD bond length	0.019
RMSD bond angle	1.789
Data reduction software	HKL
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.420
High resolution limit [Å]	1.400	3.800	1.400
Rmerge	0.072	0.047	0.478
Rmeas	0.076	0.050	0.506
Rpim	0.025	0.016	0.162
Number of reflections	40473
<I/σ(I)>	4.4
Completeness [%]	100.0	100	100
Redundancy	9.6	9.6	9.5
CC(1/2)		0.998	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Magnesium chloride, HEPES, PEG3350