30AC

Complex between IgE-Fc and anti-IgE Fab aeFab67

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97930
Spacegroup name	P 21 21 21
Unit cell lengths	83.332, 117.542, 191.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.240 - 3.200
R-factor	0.2063
Rwork	0.204
R-free	0.25810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.493
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.250	3.370
High resolution limit [Å]	3.200	3.200
Rmerge	0.313	2.552
Rmeas	0.328	2.675
Rpim	0.096	0.792
Total number of observations	374827	54026
Number of reflections	31875	4549
<I/σ(I)>	10.3	2.1
Completeness [%]	100.0
Redundancy	11.8	11.9
CC(1/2)	0.993	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1 M Tris-HCl pH 7.5 and 18% (w/v) PEG 8000