8H1L

Crystal structure of glucose-2-epimerase in complex with D-Glucitol from Runella slithyformis Runsl_4512

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-06-27
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.000000
Spacegroup name	C 1 2 1
Unit cell lengths	146.242, 172.731, 150.457
Unit cell angles	90.00, 116.96, 90.00

Refinement procedure

Resolution	48.530 - 2.330
R-factor	0.1806
Rwork	0.179
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vw5
RMSD bond length	0.008
RMSD bond angle	0.868
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.530	2.420
High resolution limit [Å]	2.330	2.330
Rmerge	0.109	0.553
Number of reflections	140052	51624
<I/σ(I)>	9.66
Completeness [%]	99.2
Redundancy	3.6
CC(1/2)	0.994	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	3.6M sodium formate, 486 mM D-glucitol