8K09

Pq3-O-UGT2 with 20(S)-Ginsenoside F2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	60.270, 88.180, 164.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.270 - 3.360
R-factor	0.2982
Rwork	0.296
R-free	0.33210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.865
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.760	3.480
High resolution limit [Å]	3.360	3.360
Number of reflections	13050	2529
<I/σ(I)>	13
Completeness [%]	99.9
Redundancy	11.9	10.4
CC(1/2)	0.998	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M Bis-Tris pH5.13, 25% w/v Polyethylene glycol 3350