8F9P

Dog sialic acid esterase (SIAE) inactive mutant S128A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	109.045, 111.085, 124.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.540 - 1.550
R-factor	0.118
Rwork	0.117
R-free	0.14620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.953
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.610
High resolution limit [Å]	1.550	1.550
Rmeas	0.098
Number of reflections	216052	17518
<I/σ(I)>	21.8
Completeness [%]	98.0
Redundancy	10.5
CC(1/2)		0.270

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M sodium HEPES, pH 7.5, 30% v/v PEG400