5HOW

X-ray crystallographic structure of an Abeta 17-36 beta-hairpin. LV(PHI)FAEDCGSNKCAII(SAR)L(ORN)V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	133
Detector technology	CCD
Collection date	2015-07-15
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54
Spacegroup name	P 61 2 2
Unit cell lengths	97.310, 97.310, 97.621
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.091 - 2.295
R-factor	0.2365
Rwork	0.234
R-free	0.26220
RMSD bond length	0.005
RMSD bond angle	0.934
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (1.10.1_2155)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.090	2.377
High resolution limit [Å]	2.295	2.295
Rmerge	0.056	0.438
Number of reflections	12701
<I/σ(I)>	15.73	1.41
Completeness [%]	100.0	99
Redundancy	2	2
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	296	0.1 M HEPES Buffer, 31% (v/v) Jeffamine M-600