5MY4

Structure of Pyroglutamate-Abeta-specific Fab c#17 in complex with human Abeta-pE3-12PEGb

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-22
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	43.170, 87.142, 58.029
Unit cell angles	90.00, 96.06, 90.00

Refinement procedure

Resolution	28.852 - 2.211
R-factor	0.1894
Rwork	0.186
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dqt
RMSD bond length	0.008
RMSD bond angle	0.988
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.852	30.000	2.310
High resolution limit [Å]	2.210	28.852	2.210
Rmerge	0.087		0.259
Rmeas	0.092		0.306
Number of reflections	40703		4119
<I/σ(I)>	18.84		4.55
Completeness [%]	98.1		86.8
Redundancy	8.868		3.355

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	286	25% w/v PEG 3350, 100 mM bis-Tris, 200 mM magnesium chloride, 0.5% n-dodecyl-beta-D-maltoside