6B79

Curved pair of sheets formed from SOD1 residues 28-38 with familial mutation G37R.

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	2014-04-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	56.940, 11.640, 44.930
Unit cell angles	90.00, 127.32, 90.00

Refinement procedure

Resolution	35.730 - 1.800
R-factor	0.2337
Rwork	0.230
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dli
RMSD bond length	0.010
RMSD bond angle	1.250
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.730	35.730	1.840
High resolution limit [Å]	1.800	8.030	1.800
Rmerge	0.175	0.068	1.579
Rmeas	0.211	0.091	1.979
Total number of observations	7194
Number of reflections	2330	39	129
<I/σ(I)>	4.06	9.08	0.48
Completeness [%]	96.6	95.1	74.1
Redundancy	3.088	2.564	2.403
CC(1/2)	0.981	0.982	0.215

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	HEPES pH 7.5, Sodium citrate, 2-Methyl-2,4-pentanediol