7N2H

X-Ray structure of a sequence variant of a repeat segment of the yeast prion New1p

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	2013-12-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 31
Unit cell lengths	27.200, 27.200, 4.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.600 - 1.102
R-factor	0.1408
Rwork	0.138
R-free	0.16060
Structure solution method	AB INITIO PHASING
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	PHENIX (1.16-3549-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	13.600	13.600	1.100
High resolution limit [Å]	1.050	2.100	1.050
Rmerge	0.161	0.114	0.359
Rmeas	0.197	0.139	0.447
Total number of observations	4635
Number of reflections	1793	238	154
<I/σ(I)>	4.13	6.43	1.97
Completeness [%]	90.2	94.8	61.1
Redundancy	2.585	2.639	2.039
CC(1/2)	0.974	0.971	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	20% MPD, 0.1 M sodium acetate, pH 4.5