7CJ6

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

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	PIXEL
Collection date	2018-12-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	45.750, 80.870, 139.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.290 - 1.800
R-factor	0.1844
Rwork	0.181
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zfs
RMSD bond length	0.003
RMSD bond angle	1.173
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.290	38.290	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.077	0.037	0.464
Rmeas	0.084	0.041	0.506
Total number of observations	305677
Number of reflections	48196	643	3464
<I/σ(I)>	15.08	32.36	3.92
Completeness [%]	98.3	97.7	97
Redundancy	6.342	5.72	6.315
CC(1/2)	0.997	0.996	0.918

Crystallization Conditions

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