7CJ5

Crystal structure of homo dimeric D-allulose 3-epimerase from Methylomonas sp. in complex with D-fructose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	45.420, 70.540, 140.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.940 - 1.800
R-factor	0.127
Rwork	0.126
R-free	0.15900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zfs
RMSD bond length	0.005
RMSD bond angle	1.217
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.940	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.065	0.522
Rmeas	0.070	0.017
Total number of observations	305959
Number of reflections	42687	530
<I/σ(I)>	23.22	3.64
Completeness [%]	99.9	100
Redundancy	7.167	7.3
CC(1/2)	0.999	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	magnesium chloride, Tris, PEG3350