5MOL

Human IgE-Fc crystal structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-28
Detector	PSI PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 2
Unit cell lengths	130.674, 75.782, 79.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.817 - 1.750
R-factor	0.199
Rwork	0.197
R-free	0.23230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wqr
RMSD bond length	0.009
RMSD bond angle	0.944
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]	79.820	1.800
High resolution limit [Å]	1.750	1.750
Rmerge	0.098	1.982
Number of reflections	80503
<I/σ(I)>	14	1.3
Completeness [%]	99.9	99.8
Redundancy	13.1	11.4
CC(1/2)	0.999	0.495

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M Tris HCL pH 8.5 25% PEG 550 MME