5IIW

Corkscrew assembly of SOD1 residues 28-38 without potassium iodide

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]	100
Detector technology	CCD
Collection date	2012-12-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	30.890, 43.230, 70.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.490 - 2.000
R-factor	0.2401
Rwork	0.239
R-free	0.25240
Structure solution method	SIRAS
RMSD bond length	0.010
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.490	35.490	2.150
High resolution limit [Å]	2.000	5.470	2.000
Rmerge	0.122	0.050	0.593
Number of reflections	6691
<I/σ(I)>	9.34	16.66	3.13
Completeness [%]	97.8	96.3	97.7
Redundancy	5.1		5.23
CC(1/2)	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	reservoir contained 13% PEG 6000, 0.2M Sodium Citrate