9UDP

Single-chain Fv antibody of B2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9800
Spacegroup name	P 21 21 21
Unit cell lengths	39.762, 71.956, 81.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.990 - 1.480
R-factor	0.1565
Rwork	0.156
R-free	0.17430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.072
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.510
High resolution limit [Å]	1.480	1.480
Rmerge	0.085	0.974
Number of reflections	39699	1911
<I/σ(I)>	14.2	2.3
Completeness [%]	100.0	100
Redundancy	6.6	6.7
CC(1/2)		0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	4.0 M sodium formate