5MYX

Structure of Pyroglutamate-Abeta-specific Fab c#24 in complex with human Abeta-pE3-18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	115.611, 95.935, 90.371
Unit cell angles	90.00, 101.17, 90.00

Refinement procedure

Resolution	47.967 - 1.492
R-factor	0.1821
Rwork	0.180
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zea
RMSD bond length	0.005
RMSD bond angle	0.832
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.967	47.967	1.580
High resolution limit [Å]	1.490	4.460	1.490
Rmerge	0.047	0.016	0.644
Rmeas	0.054	0.019	0.743
Number of reflections	154382	6003	22804
<I/σ(I)>	18.95	64.03	2.17
Completeness [%]	98.3	99.6	90
Redundancy	4.191	4.181	4.055
CC(1/2)	0.999	1.000	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	286	20% w/v PEG 3000 100 mM sodium citrate pH 5.5