6ZQK

HER2-binding scFv-Fab fusion 841

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000305674358714
Spacegroup name	P 1
Unit cell lengths	51.080, 75.640, 88.600
Unit cell angles	103.56, 90.33, 107.13

Refinement procedure

Resolution	48.690 - 2.200
R-factor	0.204
Rwork	0.202
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ub0
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.690	48.690	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.073	0.032	0.793
Rmeas	0.085	0.038	0.926
Total number of observations	213852
Number of reflections	57402	618	4346
<I/σ(I)>	10.13	27.06	1.96
Completeness [%]	92.0	88.8	94.2
Redundancy	3.726	3.712	3.704
CC(1/2)	0.997	0.998	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277.15	20 % PEG smear high 50 mM MgCl2, 150 mM LiSO4 0.1M HEPES pH 7.8