5WMJ

KVWGSI segment from Superoxide Dismutase 1,residues 30-35

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	298
Detector technology	CCD
Collection date	2013-06-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	9.518, 20.282, 44.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.120 - 1.400
R-factor	0.1706
Rwork	0.171
R-free	0.16980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2 ANTI-PARALLEL BETA STRANDS
RMSD bond length	0.020
RMSD bond angle	2.002
Data reduction software	DENZO
Data scaling software	SCALEPACK (1.98.7)
Phasing software	PHASER (2.52)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.166	0.079	0.550
Total number of observations	11623
Number of reflections	1738	227	132
<I/σ(I)>	4.6
Completeness [%]	89.6	97	75
Redundancy	6.7	7.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	Reservoir solution contained 4M Sodium Formate