5HOY

X-ray crystallographic structure of an A-beta 17_36 beta-hairpin. X-ray diffractometer data set. (LVFFAEDCGSNKCAII(SAR)LMV).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	133
Detector technology	CCD
Collection date	2015-09-14
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54
Spacegroup name	P 61 2 2
Unit cell lengths	97.649, 97.649, 97.781
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.189 - 2.295
R-factor	0.2479
Rwork	0.245
R-free	0.27550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5how
RMSD bond length	0.003
RMSD bond angle	0.771
Data reduction software	MOSFLM (7.2.1)
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]	28.190	2.377
High resolution limit [Å]	2.295	2.295
Rmerge	0.038	0.653
Number of reflections	12832
<I/σ(I)>	11.44	1.01
Completeness [%]	100.0	100
Redundancy	2	2
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	296	0.1 M HEPES Buffer, 27% (v/v) Jeffamine M-600