7CJ7

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	46.056, 81.777, 140.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.250 - 1.695
R-factor	0.1501
Rwork	0.148
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zfs
RMSD bond length	0.005
RMSD bond angle	1.209
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.690	4.610	1.700
Rmerge	0.114	0.045	0.635
Rmeas	0.126	0.051	0.691
Rpim	0.052	0.022	0.269
Number of reflections	58671	3176	2875
<I/σ(I)>	7
Completeness [%]	98.6	98.3	98.4
Redundancy	5.6	5.1	6.1
CC(1/2)		0.997	0.851

Crystallization Conditions

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