5SUR

X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36. Synchrotron data set. (ORN)CVF(MEA)CED(ORN)AIIGL(ORN)V.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.920
Spacegroup name	P 63 2 2
Unit cell lengths	57.401, 57.401, 94.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.450 - 1.801
R-factor	0.2144
Rwork	0.211
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5sus
RMSD bond length	0.007
RMSD bond angle	0.997
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155: 000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.450	1.866
High resolution limit [Å]	1.801	1.801
Rmerge	0.011	0.654
Number of reflections	8947
<I/σ(I)>	23.12	1.13
Completeness [%]	99.0	99
Redundancy	2	2
CC(1/2)	1.000	0.532

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296.15	0.1 M Tris buffer at pH 7.83, 0.2 M MgCl2, 3.32 M 1,6-hexanediol