8U1I

Crystal structure of SyoA bound to 4-methylsyringol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	57.414, 62.764, 58.078
Unit cell angles	90.00, 104.58, 90.00

Refinement procedure

Resolution	41.600 - 1.120
R-factor	0.1376
Rwork	0.137
R-free	0.15350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8u19
RMSD bond length	0.008
RMSD bond angle	1.139
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]	41.600	1.160
High resolution limit [Å]	1.120	1.120
Rmerge	0.070	1.213
Number of reflections	153831	92855
<I/σ(I)>	11.41	1.3
Completeness [%]	100.0	99.93
Redundancy	6.7
CC(1/2)	0.999	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	289	0.2 M lithium nitrate, 20% w/v PEG3350