5DLI

Corkscrew assembly of SOD1 residues 28-38

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	33.090, 44.390, 71.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.330 - 2.100
R-factor	0.215
Rwork	0.212
R-free	0.26220
Structure solution method	SIRAS
RMSD bond length	0.010
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (BUSTER 2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.330	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.103	0.443
Rmeas	0.111	0.488
Total number of observations	43500
Number of reflections	6261	856
<I/σ(I)>	14.4	4.88
Completeness [%]	95.3	96.8
Redundancy	6.9	7.05

Crystallization Conditions

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