8X8P

Phenylethanol rhamnosyltransferase (CmGT3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-17
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	183.574, 183.574, 90.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	158.980 - 2.620
R-factor	0.21203
Rwork	0.210
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.485
Data reduction software	Adxv
Data scaling software	DIALS
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	158.980	2.690
High resolution limit [Å]	2.620	2.620
Number of reflections	52356	3809
<I/σ(I)>	17.2
Completeness [%]	99.4
Redundancy	19.2
CC(1/2)	0.998	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	Precipitation Reagent: 20% (w/v) PEG 8000, Buffer: 100 mM CHES/ Sodium hydroxide pH 9.5