5HYS

Structure of IgE complexed with omalizumab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	100.103, 107.143, 151.043
Unit cell angles	90.00, 95.18, 90.00

Refinement procedure

Resolution	37.607 - 2.500
R-factor	0.221
Rwork	0.221
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4GT7 and 4X7S
RMSD bond length	0.003
RMSD bond angle	0.812
Data reduction software	HKL-2000 (0.98.691h)
Data scaling software	HKL-2000 (0.98.691h)
Phasing software	PHENIX (v1.9)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.610	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.115	2.009
Number of reflections	107558
<I/σ(I)>	22.09	1.94
Completeness [%]	97.8	95.73
Redundancy	26.9	23
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	0.2M Lithium Sulfate, 0.1 M Tris pH 8.5, and 41% PEG 400