7ERM

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2020-02-16
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	67.381, 98.711, 161.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.190 - 2.320
R-factor	0.1823
Rwork	0.179
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dz2
RMSD bond length	0.008
RMSD bond angle	0.869
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]	47.190	2.400
High resolution limit [Å]	2.320	2.320
Rmeas	0.184
Rpim	0.051	0.437
Number of reflections	89663	4570
<I/σ(I)>	11.1	2
Completeness [%]	100.0
Redundancy	13.1
CC(1/2)	0.998

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