9LB6

Crystal structure of trehalose 6-phosphate phosphatase Weissella ceti

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	179.541, 61.695, 77.048
Unit cell angles	90.00, 105.82, 90.00

Refinement procedure

Resolution	43.180 - 1.980
R-factor	0.1523
Rwork	0.151
R-free	0.18130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.842
Data reduction software	HKL-2000 (v722-Linux)
Data scaling software	HKL-2000 (v722-Linux)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.180	1.980
High resolution limit [Å]	1.910	1.910
Number of reflections	62370	5457
<I/σ(I)>	8.65	3.33
Completeness [%]	98.1	87.1
Redundancy	6.3	5.5
CC(1/2)	0.991	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	300	0.2 M calcium acetate hydrate, 0.1 M sodium cacodylate trihydrate (pH 6.5), and 18% (w/v) polyethylene glycol 8,000