9KSX

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

This is a non-PDB format compatible entry.

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	2023-09-15
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	P 21 21 2
Unit cell lengths	79.775, 117.950, 47.088
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.420 - 1.550
R-factor	0.1993
Rwork	0.198
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.102
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	117.950	1.590
High resolution limit [Å]	1.550	1.550
Number of reflections	65293	4763
<I/σ(I)>	9
Completeness [%]	99.9
Redundancy	12	9.7
CC(1/2)	0.993	0.215

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