5MOI

Crystal structure of human IgE-Fc epsilon 3-4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	47.673, 90.296, 92.908
Unit cell angles	114.41, 90.63, 96.10

Refinement procedure

Resolution	42.223 - 2.200
R-factor	0.2144
Rwork	0.213
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ha0
RMSD bond length	0.003
RMSD bond angle	0.591
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.610	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.130	1.103
Number of reflections	70275
<I/σ(I)>	7.5	2
Completeness [%]	98.9	97
Redundancy	5.7	3.8
CC(1/2)	0.997	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	25% (v/v) PEG1500, 0.1M SPG (succinic acid, sodium dihydrogen phosphate and glycine in the ratio 2:7:7)