8U09

Crystal structure of substrate-free SyoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-27
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 2
Unit cell lengths	54.860, 150.242, 60.642
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.190 - 1.980
R-factor	0.1737
Rwork	0.172
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.849
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.190	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.117	0.631
Number of reflections	35630	3483
<I/σ(I)>	19.8	4.1
Completeness [%]	98.3	98.8
Redundancy	13.5
CC(1/2)	0.999	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	0.1 M sodium acetate, pH 5, 5% w/v gamma-PGA, 12% w/v PEG8000