8K08

Pq3-O-UGT2 with 20(S)-Ginsenoside Rh2

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	2021-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	70.349, 90.203, 155.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.260 - 3.500
R-factor	0.2944
Rwork	0.293
R-free	0.32040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.666
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.260	3.300
High resolution limit [Å]	3.190	3.190
Number of reflections	16348	1655
<I/σ(I)>	12
Completeness [%]	95.3
Redundancy	2
CC(1/2)	0.999	0.331

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	2.0 M sodium chloride, 0.2 M sodium citrate, pH 5.2, 25% w/v PEG8000