4HIX

Crystal structure of a humanised 3D6 Fab bound to amyloid beta peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	P 21 2 21
Unit cell lengths	59.343, 83.039, 91.224
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.281 - 2.204
R-factor	0.1741
Rwork	0.170
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.981
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.163	0.091	0.788
Number of reflections	23109
<I/σ(I)>	8.6
Completeness [%]	98.8	99.8	89.8
Redundancy	12.1	13.4	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	sodium formate, PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K