9KSS

Complex structure of CaApiGT/UDP/Quercetin 3-O-galactoside

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	2023-11-26
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	80.402, 119.645, 47.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.730 - 1.660
R-factor	0.1902
Rwork	0.189
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.985
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.730	1.750
High resolution limit [Å]	1.660	1.660
Number of reflections	54956	7826
<I/σ(I)>	7.6
Completeness [%]	99.5
Redundancy	5.9
CC(1/2)	0.996	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	20% w/v polyethylene glycol 3350, 0.2 M Calcium acetate hydrate