30AD

Complex between IgE-Fc and anti-IgE Fab aeFab81

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 31 2 1
Unit cell lengths	165.791, 165.791, 184.529
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	113.318 - 3.200
R-factor	0.1838
Rwork	0.182
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.632
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	143.580	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.138	1.645
Rmeas	0.146	1.730
Rpim	0.046	0.533
Total number of observations	499791
Number of reflections	48875	4465
<I/σ(I)>	14.4
Completeness [%]	100.0	100
Redundancy	10.2	10.5
CC(1/2)	0.995	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.1 M Tris-HCl pH 8.5 and 30% (v/v) PEG 400