9IUT

Crystal structure of cancer-specific anti-HER2 antibody H2Mab-250 in complex with epitope peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	C 2 2 21
Unit cell lengths	116.545, 123.199, 96.083
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.070 - 2.090
R-factor	0.203
Rwork	0.201
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.554
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.300	2.220
High resolution limit [Å]	2.090	2.090
Number of reflections	41195	6539
<I/σ(I)>	10.66	2.08
Completeness [%]	99.8	99.2
Redundancy	6.7	6.5
CC(1/2)	0.997	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M MgCl2, 0.1 M Bis-Tris pH 5.7, 25% w/v PEG 3350