9VX2

Crystal structure of the apo form of HisMab-1 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2022-02-11
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.052
Spacegroup name	C 2 2 21
Unit cell lengths	73.719, 191.099, 177.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.200 - 2.390
R-factor	0.2344
Rwork	0.232
R-free	0.28840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.019
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	2.470
High resolution limit [Å]	2.390	2.390
Rmerge	0.101	1.145
Number of reflections	49897	4539
<I/σ(I)>	17.1	2.2
Completeness [%]	100.0
Redundancy	13.9
CC(1/2)	0.999	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2.0M ammonium sulphate, 0.1M Tris-HCl (pH 7.0), 0.1M lithium sulfate