7DZ2

Crystal structures of D-allulose 3-epimerase 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 1 21 1
Unit cell lengths	62.973, 88.297, 128.695
Unit cell angles	90.00, 99.29, 90.00

Refinement procedure

Resolution	32.650 - 1.550
R-factor	0.1702
Rwork	0.169
R-free	0.18770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zfs
RMSD bond length	0.006
RMSD bond angle	0.857
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]	45.170	1.580
High resolution limit [Å]	1.550	1.550
Rmeas	0.062	0.062
Rpim	0.023	0.428
Number of reflections	195342	9475
<I/σ(I)>	17.6	2
Completeness [%]	97.2
Redundancy	6.9
CC(1/2)	0.999	0.743

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