9RTG

Crystal structure of Ara h 2 immunocomplex with IgE Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-29
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 21 21 21
Unit cell lengths	124.755, 139.246, 226.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.290 - 3.190
R-factor	0.2278
Rwork	0.226
R-free	0.29290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.515
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.290	3.280
High resolution limit [Å]	3.190	3.190
Number of reflections	433528	28671
<I/σ(I)>	2.75
Completeness [%]	99.9
Redundancy	6.56
CC(1/2)	0.922	0.115

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	295.15	10 % PEG 2000, 0.2M MgCl2, 0.1M Sodium citrate