9KSM

Complex structure of CaApiGT/UDP

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	80.070, 119.312, 47.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.270 - 1.740
R-factor	0.1959
Rwork	0.194
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.987
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]	66.490	1.840
High resolution limit [Å]	1.740	1.740
Rmerge	0.158
Number of reflections	47528	6848
<I/σ(I)>	8
Completeness [%]	100.0
Redundancy	6
CC(1/2)		0.481

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