9GP2

apoJ22.9 Unliganded structure of an Fab fragment from the therapeutic antibody J22.9-xi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-26
Detector	PSI PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 62 2 2
Unit cell lengths	122.374, 122.374, 170.125
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.670 - 1.970
R-factor	0.1635
Rwork	0.162
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.031
Data reduction software	XDS (VERSION March 30, 2013)
Data scaling software	XDS (VERSION March 30, 2013)
Phasing software	PHASER
Refinement software	PHENIX (dev_5407)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.670	2.000
High resolution limit [Å]	1.968	1.970
Rmeas	0.100	1.000
Number of reflections	53707	2688
<I/σ(I)>	17.59	2.07
Completeness [%]	99.7
Redundancy	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	BisTris PEG 3350 CuCl2