7DZ3

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

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	2019-12-07
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	87.437, 120.648, 134.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.920 - 1.880
R-factor	0.1838
Rwork	0.182
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zfs
RMSD bond length	0.011
RMSD bond angle	1.115
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]	48.780	1.910
High resolution limit [Å]	1.880	1.880
Rmeas	0.123
Rpim	0.046	0.481
Number of reflections	116087	5634
<I/σ(I)>	10.3	2
Completeness [%]	99.3
Redundancy	6.9
CC(1/2)	0.998	0.716

Crystallization Conditions

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