8JQ6

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

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	89.934, 140.057, 147.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.430 - 1.710
R-factor	0.14203
Rwork	0.140
R-free	0.18702
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.222
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]	49.160	1.740
High resolution limit [Å]	1.710	1.710
Rmerge	0.148	1.338
Rmeas	0.154	1.393
Rpim	0.042	0.386
Total number of observations	2640827	124747
Number of reflections	200687	9801
<I/σ(I)>	12.6	2.1
Completeness [%]	100.0
Redundancy	13.2	12.7
CC(1/2)	0.998	0.700

Crystallization Conditions

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