8VK1

X-ray crystal structure of human IgE 4C8 Fab complex with Der p 2.0103

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-22
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	225.254, 95.298, 69.209
Unit cell angles	90.00, 105.72, 90.00

Refinement procedure

Resolution	39.577 - 3.050
Rwork	0.197
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7mlh
RMSD bond length	0.005
RMSD bond angle	1.302
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.100
High resolution limit [Å]	3.050	3.050
Rmerge	0.105	0.420
Rmeas	0.122	0.490
Rpim	0.061	0.250
Number of reflections	26735	1331
<I/σ(I)>	13.7	1.8
Completeness [%]	99.0	97.1
Redundancy	3.8
CC(1/2)	0.984	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	1.0 M lithium chloride, 0.3 M citrate, pH 4.0, 25% w/v PEG6000