30AE

Complex between IgE-Fc and anti-IgE Fab aeFab92

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	2013-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	169.533, 86.837, 108.791
Unit cell angles	90.00, 110.17, 90.00

Refinement procedure

Resolution	46.799 - 3.500
R-factor	0.2451
Rwork	0.243
R-free	0.28970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.543
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.800	3.830
High resolution limit [Å]	3.500	3.500
Rmerge	0.088	0.732
Rmeas	0.105	0.880
Rpim	0.056	0.482
Total number of observations	63127	13905
Number of reflections	18833	4410
<I/σ(I)>	8.2	1.4
Completeness [%]	99.6
Redundancy	3.4	3.2
CC(1/2)	0.980	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M sodium citrate pH 5.5, 12% (w/v) PEG 6000, 0.1 M ammonium chloride and 4% (v/v) ethylene glycol