8VZW

Structure of humanized MS-Hu6 Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97911
Spacegroup name	P 1 21 1
Unit cell lengths	52.819, 50.077, 86.235
Unit cell angles	90.00, 105.17, 90.00

Refinement procedure

Resolution	50.980 - 2.500
R-factor	0.2229
Rwork	0.221
R-free	0.25830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.589
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.980	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.145	0.732
Number of reflections	15104	1470
<I/σ(I)>	7.99
Completeness [%]	98.4	99.12
Redundancy	4.1	4.3
CC(1/2)	0.989	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Tris-HCl (pH 8.5), 0.2 M ammonium sulphate, and 25% (w/v) polyethylene glycol 3350