8BYU

Crystal Structure of HexaBody-CD38 Fab in complex with CD38

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	97.240, 78.309, 98.162
Unit cell angles	90.00, 91.94, 90.00

Refinement procedure

Resolution	61.000 - 1.850
R-factor	0.1896
Rwork	0.188
R-free	0.22976
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yh3
RMSD bond length	0.004
RMSD bond angle	1.343
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.000	1.880
High resolution limit [Å]	1.848	1.848
Rmerge	0.099
Rmeas	0.126
Number of reflections	63099	2880
<I/σ(I)>	6.9
Completeness [%]	98.7
Redundancy	3
CC(1/2)	0.994	0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	0.15 M (NH4)2SO4; 0.1 M HEPES: pH:7.0; 20.0 %w/v PEG 4K