8JQ4

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

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	90.116, 140.786, 147.345
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.100 - 1.610
R-factor	0.16675
Rwork	0.165
R-free	0.20789
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.101
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]	46.930	1.640
High resolution limit [Å]	1.610	1.610
Rmerge	0.115	1.402
Rmeas	0.120	1.458
Rpim	0.033	0.397
Total number of observations	3204608	159575
Number of reflections	241662	11906
<I/σ(I)>	16.7	2.1
Completeness [%]	100.0
Redundancy	13.3	13.4
CC(1/2)	0.999	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PEG 550MME, MES