7JQS

Abeta 16-36 beta-hairpin mimic with E22delta Osaka mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	123.15
Detector technology	CCD
Collection date	2017-02-21
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 41 3 2
Unit cell lengths	47.238, 47.238, 47.238
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.126 - 2.127
R-factor	0.2392
Rwork	0.234
R-free	0.28690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jqr
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.130	2.203
High resolution limit [Å]	2.127	2.127
Rmerge	0.004	0.027
Number of reflections	1928	110
<I/σ(I)>	52.34
Completeness [%]	99.8
Redundancy	156.1
CC(1/2)	1.000	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297.15	calcium chloride, sodium acetate, isopropanol