7CJ9

Crystal structure of N-terminal His-tagged D-allulose 3-epimerase from Methylomonas sp. with additional C-terminal residues

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	80.430, 92.770, 93.780
Unit cell angles	87.67, 98.64, 115.60

Refinement procedure

Resolution	45.710 - 1.580
R-factor	0.1792
Rwork	0.177
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zfs
RMSD bond length	0.005
RMSD bond angle	1.252
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]	45.710	45.710	1.620
High resolution limit [Å]	1.580	7.070	1.580
Rmerge	0.034	0.010	0.457
Rmeas	0.041	0.012	0.538
Total number of observations	1081104
Number of reflections	311350	3643	23169
<I/σ(I)>	22.43	81.33	2.82
Completeness [%]	94.0	98.3	94.7
Redundancy	3.472	3.759	3.63
CC(1/2)	0.999	1.000	0.830

Crystallization Conditions

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