8VH8

Crystal structure of heparosan synthase 2 from Pasteurella multocida at 2.85 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-22
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.979497
Spacegroup name	P 43
Unit cell lengths	118.570, 118.570, 262.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.760 - 2.850
R-factor	0.1987
Rwork	0.198
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.838
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]	28.760	2.954
High resolution limit [Å]	2.850	2.852
Rmeas	0.095	1.052
Rpim	0.041	0.443
Number of reflections	83838	8067
<I/σ(I)>	9.67	1.15
Completeness [%]	98.7
Redundancy	5.3
CC(1/2)	0.999	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Protein: 15mg/ml PmHS2(98-644) in 25mM Tris pH 7.5, 125mM NaCl, 5mM MnCl2, 5mM UDPGlcNAc, UDPGlcA well solution: .1M imidazole/MDES pH6.5, 60mM (MgCl2 and CaCl2)