8SV2

Pasteurella multocida alpha2,3/2,6 sialyltransferase D141N bound to CMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12704
Spacegroup name	P 21 21 21
Unit cell lengths	67.598, 66.401, 96.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.890 - 1.840
R-factor	0.2169
Rwork	0.215
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.023
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.880
High resolution limit [Å]	1.840	1.840
Number of reflections	38024	1849
<I/σ(I)>	47.83
Completeness [%]	99.9
Redundancy	12.4
CC(1/2)	0.999	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	14 mg/mL PMSTD141N protein in 20 mM Tris pH 7.5 mother liquor: 23% PEG 3350 100 mM HEPES, pH 6.0 100 mM NaCl 0.4% Triton X-100 5 mM CMP Drops were 1:1 protein and mother liquor.