8H8Q

Fab-amyloid beta fragment complex at neutral pH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	40.040, 94.150, 115.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.257 - 2.500
Rwork	0.212
R-free	0.27450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7e6p
RMSD bond length	0.001
RMSD bond angle	0.511
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.961	2.550
High resolution limit [Å]	2.500	2.500
Number of reflections	15801	1530
<I/σ(I)>	9.1
Completeness [%]	100.0
Redundancy	35.1
CC(1/2)	0.983	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	PEG3350, magnesium chloride, HEPES pH 7.2