8XX0

Crystal structure of anti-IgE antibody HMK-12 Fab complexed with IgE F(ab')2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.99999
Spacegroup name	C 1 2 1
Unit cell lengths	282.050, 86.090, 56.060
Unit cell angles	90.00, 97.19, 90.00

Refinement procedure

Resolution	49.600 - 2.900
R-factor	0.2279
Rwork	0.225
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i9i 2vxq 1o0v
RMSD bond length	0.002
RMSD bond angle	0.622
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]	49.600	3.000
High resolution limit [Å]	2.900	2.900
Rmeas	0.466	2.584
Number of reflections	29738	2956
<I/σ(I)>	17.77	2.93
Completeness [%]	99.8	99.7
Redundancy	63.9	65.6
CC(1/2)	0.996	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	14 %(w/v) PEG3350, 0.09 M MES-NaOH(pH6.5), 0.09 M Magnesium acetate, 0.09 %(w/v) beta-octylglucoside, 0.1 M NDSB-256