8VH7

Crystal structure of heparosan synthase 2 from Pasteurella multocida at 1.98 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-14
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.979342
Spacegroup name	P 21 21 2
Unit cell lengths	93.178, 163.177, 84.273
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.700 - 1.982
R-factor	0.2089
Rwork	0.208
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.892
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.700	2.053
High resolution limit [Å]	1.982	1.982
Rmerge	0.160	1.023
Rmeas	0.171	1.093
Rpim	0.060	0.381
Number of reflections	89657	8728
<I/σ(I)>	8.36	1.88
Completeness [%]	99.6	98.48
Redundancy	7.9	7.9
CC(1/2)	0.998	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	ML: Morpheus 2-26 0.1M carboxylic Acids, 0.1M Buffer system 1 pH 6.5, 30% Pmix2 EDO_P8K 5mM UDP, 5mM MnCl2, 5mM NS-tetrmer