7DZ5

Crystal structures of D-allulose 3-epimerase with D-sorbose from Sinorhizobium fredii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2020-11-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	63.143, 87.934, 128.928
Unit cell angles	90.00, 99.58, 90.00

Refinement procedure

Resolution	42.610 - 1.700
R-factor	0.1543
Rwork	0.153
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zfs
RMSD bond length	0.009
RMSD bond angle	1.059
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.970	1.730
High resolution limit [Å]	1.700	1.700
Rmeas	0.089	0.671
Rpim	0.047	0.346
Number of reflections	150697
<I/σ(I)>	0.089	1.9
Completeness [%]	98.9	99.1
Redundancy	3.5
CC(1/2)	0.997	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Lithium sulfate monohydrate, 0.1 M BIS-TRIS pH 6.5, 25% w/v PEG 3,350