5ZFS

Crystal structure of Arthrobacter globiformis M30 sugar epimerase which can produce D-allulose from D-fructose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-27
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
Unit cell lengths	103.980, 103.980, 256.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.020 - 1.960
R-factor	0.1869
Rwork	0.186
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vyl
RMSD bond length	0.004
RMSD bond angle	0.718
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.020	45.020	2.010
High resolution limit [Å]	1.960	8.770	1.960
Rmerge	0.078	0.039	0.330
Rmeas	0.080	0.040	0.369
Total number of observations	1334865
Number of reflections	59179	826	3946
<I/σ(I)>	31.46	62.41	4.59
Completeness [%]	99.0	98.5	91.5
Redundancy	22.556	24.331	4.652
CC(1/2)	0.999	0.998	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	AMMONIUM ACETATE, SODIUM ACETATE TRIHYDRATE, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K