27HO

The structure of cis-isoeugenol synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-04
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979
Spacegroup name	I 2 3
Unit cell lengths	139.340, 139.340, 139.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.835 - 2.601
R-factor	0.237800858707
Rwork	0.236
R-free	0.28371
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.890	2.720
High resolution limit [Å]	2.600	2.600
Number of reflections	14022	1698
<I/σ(I)>	18.3
Completeness [%]	100.0	100
Redundancy	9.3
CC(1/2)	0.999	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289.2	12.5% PEG 1000, PEG 3350, 12.5% MPD, 0.03 M of each halide, 0.1 M MES