8JQ5

Crystal structure of Lactobacillus rhamnosus L-rhamnose isomerase in complex with D-allulose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-19
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	89.887, 139.445, 146.834
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.230 - 1.730
R-factor	0.14174
Rwork	0.139
R-free	0.18671
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.262
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.940	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.118	1.414
Rmeas	0.123	1.469
Rpim	0.033	0.396
Total number of observations	2569188	127215
Number of reflections	192191	9422
<I/σ(I)>	17.5	2.2
Completeness [%]	100.0
Redundancy	13.4	13.5
CC(1/2)	0.999	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PEG550MME, MES