7CJ4

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

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	45.730, 80.720, 139.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.450 - 2.080
R-factor	0.1893
Rwork	0.185
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zfs
RMSD bond length	0.004
RMSD bond angle	1.199
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]	43.450	43.450	2.130
High resolution limit [Å]	2.080	9.300	2.080
Rmerge	0.104	0.034	0.535
Rmeas	0.113	0.038	0.580
Total number of observations	204455
Number of reflections	31851	416	2299
<I/σ(I)>	13.47	38.95	3.56
Completeness [%]	99.8	96.7	100
Redundancy	6.419	5.368	6.653
CC(1/2)	0.998	0.997	0.878

Crystallization Conditions

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