9C20

The Sialidase NanJ in complex with Neu5,9Ac

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-30
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 64 2 2
Unit cell lengths	171.037, 171.037, 93.296
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.808 - 2.699
Rwork	0.184
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.585
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.810	2.100
High resolution limit [Å]	2.100	2.100
Number of reflections	47174	1342
<I/σ(I)>	16.7
Completeness [%]	99.1
Redundancy	5.3
CC(1/2)	0.935	0.787

Crystallization Conditions

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