8R61

Structure of IgE delta epsilon 3-4 in complex with a kappa binding nanobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97626
Spacegroup name	P 1 21 1
Unit cell lengths	154.100, 132.490, 154.530
Unit cell angles	90.00, 118.84, 90.00

Refinement procedure

Resolution	32.460 - 3.100
R-factor	0.2334
Rwork	0.232
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.887
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_4903)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.460	3.211
High resolution limit [Å]	3.100	3.100
Rmerge	0.312	1.598
Number of reflections	98556	9783
<I/σ(I)>	5.65
Completeness [%]	99.7	99.33
Redundancy	6.8	6
CC(1/2)	0.978	0.336

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	295	0.2 M Ammonium nitrate, 20% PEG 3350, pH 6.2