9FVE

Crystal structure of VcSiaP W73A mutant in complex with sialic acid and a VHH antibody (VHH_VcP#2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97626
Spacegroup name	C 1 2 1
Unit cell lengths	223.570, 153.113, 210.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.240 - 2.810
R-factor	0.2342
Rwork	0.234
R-free	0.26690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.813
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.240	2.910
High resolution limit [Å]	2.810	2.810
Rmerge		0.343
Number of reflections	171247	17066
<I/σ(I)>	0.06463
Completeness [%]	99.0
Redundancy	2
CC(1/2)	0.994	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	Sodium HEPES, pH 7.0, Ammonium sulfate