9LB7

Crystal structure of trehalose-6-phosphate phosphorylase from Weissella ceti in complex with beta-Glc1P

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 PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	181.376, 62.165, 77.265
Unit cell angles	90.00, 106.09, 90.00

Refinement procedure

Resolution	48.210 - 2.350
R-factor	0.237
Rwork	0.224
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.515
Data reduction software	HKL-2000 (v722)
Data scaling software	HKL-2000 (v722)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.210	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.195	0.609
Number of reflections	34466	1710
<I/σ(I)>	10.6	3.3
Completeness [%]	100.0	88.01
Redundancy	5.9	6.1
CC(1/2)	0.973	0.816

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