4X1M

Structural basis for mutation-induced destabilization of Profilin 1 in ALS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-18
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	73.650, 31.712, 60.539
Unit cell angles	90.00, 122.03, 90.00

Refinement procedure

Resolution	19.282 - 2.170
R-factor	0.1973
Rwork	0.197
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fik
RMSD bond length	0.003
RMSD bond angle	0.668
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.250
High resolution limit [Å]	2.170	2.170
Rmerge	0.036	0.095
Number of reflections	6468
<I/σ(I)>	8.8	18.3
Completeness [%]	99.5	100
Redundancy	2.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	PFN1 crystals were grown by hanging drop vapor diffusion after mixing the PFN1 protein with a 1:1 ratio of reservoir solution at 298K for E117G. Reservoir solution for E117G contained 50 mM KH2PO4, 41% (wt/vol) PEG 8,000 and 100 mM MES