8YEC

Crystal structure of L-ribulose 3-epimerase in complex with D-allulose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	130.425, 135.131, 151.131
Unit cell angles	90.00, 90.06, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.20976
Rwork	0.207
R-free	0.25452
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.262
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.096	0.617
Rmeas	0.114	0.727
Rpim	0.060	0.381
Number of reflections	625471	17606
<I/σ(I)>	8.25	1.84
Completeness [%]	98.3
Redundancy	3.5
CC(1/2)	0.996	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 4000, 0.1M Sodium citrate/Citric acid pH5.5, 10% 2-Propanol