6D52

Superoxide dismutase SodCI of Salmonella enterica serovar Typhimurium at 1.6 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9839
Spacegroup name	P 21 21 21
Unit cell lengths	67.530, 68.571, 122.172
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.000 - 1.600
R-factor	0.1603
Rwork	0.160
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eqw
RMSD bond length	0.007
RMSD bond angle	0.875
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2992))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.087	0.470
Rmeas	0.090	0.517
Rpim	0.025	0.209
Number of reflections	73177	5783
<I/σ(I)>	17.5	2.3
Completeness [%]	96.8	77.5
Redundancy	11.7	5.9
CC(1/2)	0.999	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	292	PEG 8000, sodium chloride, sodium acetate