9Y0D

Crystal structure of human IgE Fab 2H22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-02-07
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.729
Spacegroup name	P 65
Unit cell lengths	116.769, 116.769, 71.102
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.019 - 2.270
Rwork	0.187
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.991
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.310
High resolution limit [Å]	2.270	2.270
Rmerge	0.144	0.911
Rmeas	0.153	0.951
Rpim	0.048	0.268
Number of reflections	25393	1269
<I/σ(I)>	47.9	2.2
Completeness [%]	99.3	100
Redundancy	11.1	12.2
CC(1/2)	0.987	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	277	0.1 M citric acid pH 3.5; 25% PEG 3350