7CJ8

Crystal structure of N-terminal His-tagged 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	2019-05-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	51.020, 81.050, 106.130
Unit cell angles	99.30, 101.50, 87.24

Refinement procedure

Resolution	48.840 - 2.050
R-factor	0.1658
Rwork	0.162
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zfs
RMSD bond length	0.003
RMSD bond angle	1.147
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]	48.840	48.840	2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.080	0.029	0.496
Rmeas	0.095	0.034	0.584
Total number of observations	351828
Number of reflections	100753	1138	7341
<I/σ(I)>	11.53	31.87	2.78
Completeness [%]	97.6	97.8	96.9
Redundancy	3.492	3.471	3.57
CC(1/2)	0.998	0.999	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Ethylene glycol, HEPES, PEG8000