8YP3

Crystal structure of UDP-N-acetylglucosamine pyrophosphorylase from Spodoptera frugiperda in complex with UDP-GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 1 21 1
Unit cell lengths	45.734, 233.527, 98.063
Unit cell angles	90.00, 90.11, 90.00

Refinement procedure

Resolution	29.000 - 2.120
R-factor	0.1923
Rwork	0.192
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.916
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.410	2.230
High resolution limit [Å]	2.120	2.120
Rmerge	0.076	0.643
Number of reflections	114563	16936
<I/σ(I)>	16.2	2.8
Completeness [%]	98.6	100
Redundancy	6.6	5.7
CC(1/2)	0.999	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100 mM Bis-Tris, pH 6.0, 200 mM (NH4)2SO4, 22% (w/v) PEG3350