8UVV

The NanJ sialidase catalytic domain in complex with Neu5Ac

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-20
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 64 2 2
Unit cell lengths	171.134, 171.134, 92.843
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.670 - 2.500
R-factor	0.2189
Rwork	0.217
R-free	0.25270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (3.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	28058	28058
<I/σ(I)>	19
Completeness [%]	99.7
Redundancy	5.5
CC(1/2)	0.997	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M HEPES pH 7.5, 2.0M (NH4)2S04