8DU5

Murine sialidase-1 (NEU1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.98
Spacegroup name	I 41
Unit cell lengths	221.346, 221.346, 131.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.410 - 3.500
R-factor	0.1762
Rwork	0.175
R-free	0.19910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1snt
RMSD bond length	0.003
RMSD bond angle	0.603
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.630
High resolution limit [Å]	3.500	3.500
Rmeas	0.210	1.808
Rpim	0.100	0.854
Number of reflections	38652	3888
<I/σ(I)>	7	0.85
Completeness [%]	96.4	97.5
Redundancy	4	4.1
CC(1/2)	0.987	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	precipitant: sodium acetate; buffer: bis-tris-HCl pH6; cryoprotectant: sodium malonate