9G5Y

The structure of Aspergillus fumigatus UDP-GlcNAc pyrophosphorylase in complex with a fragment

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	55.532, 139.498, 143.223
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.610 - 1.910
R-factor	0.2071
Rwork	0.205
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.868
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.931	2.031
High resolution limit [Å]	1.907	1.907
Number of reflections	64258	3213
<I/σ(I)>	11.8
Completeness [%]	94.4
Redundancy	13.7
CC(1/2)	0.999	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Sodium acetate 25 % PEG3350