7ERO

Crystal structure of D-allulose 3-epimerase with D-allulose from Agrobacterium sp. SUL3

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	2020-12-02
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0800
Spacegroup name	P 21 21 21
Unit cell lengths	66.173, 97.517, 159.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.760 - 2.120
R-factor	0.1825
Rwork	0.180
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dz2
RMSD bond length	0.007
RMSD bond angle	0.877
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]	48.760	2.180
High resolution limit [Å]	2.120	2.120
Rmeas	0.250
Rpim	0.096	0.559
Number of reflections	59560	4561
<I/σ(I)>	9	2
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)	0.993	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Magnesium chloride, 0.1M Tris pH=8.5, 30% PEG 4000