9FVB

Crystal structure of VcSiaP in complex with a VHH antibody (VHH_VcP#2)

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	2021-02-17
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.999
Spacegroup name	C 1 2 1
Unit cell lengths	151.296, 50.340, 133.994
Unit cell angles	90.00, 114.88, 90.00

Refinement procedure

Resolution	46.380 - 2.050
R-factor	0.1973
Rwork	0.195
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.202
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.380	2.130
High resolution limit [Å]	2.050	2.050
Rmerge	0.098	0.794
Number of reflections	57531	10986
<I/σ(I)>	7.48
Completeness [%]	99.5
Redundancy	2
CC(1/2)	0.992	0.436

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	Imidazole, MES monohydrate, pH 6.5, PEG 550 MME, PEG 20000, 1,6-Hexanediol, 1-Butanol, 1,2-Propanediol, 2-Propanol, 1,4-Butanediol, 1,3-Propanediol