9L8K

Rhodothermus marines cellobiose 2-epimerase RmCE in complex with mannobiitol

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]	100
Detector technology	PIXEL
Collection date	2018-03-19
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	41.842, 87.192, 93.713
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.856 - 1.700
R-factor	0.1671
Rwork	0.165
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wkf
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998: ???)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	38532	6093
<I/σ(I)>	11.15
Completeness [%]	99.2
Redundancy	6.68
CC(1/2)	0.997	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10 mM mannobiitol, 48 mM NaCl, 100 mM sodium acetate buffer (pH 4.5), 1.2 M ammonium sulfate