9KSW

Complex structure of CaApiGT/UMP/Rutin

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)	0.97895
Spacegroup name	P 21 21 2
Unit cell lengths	80.342, 120.505, 47.794
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.790 - 2.050
R-factor	0.1838
Rwork	0.181
R-free	0.22620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.968
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]	66.850	2.160
High resolution limit [Å]	2.050	2.050
Number of reflections	29883	4303
<I/σ(I)>	7.2
Completeness [%]	100.0
Redundancy	8.8
CC(1/2)	0.985	0.525

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