9L8I

Rhodothermus marines cellobiose 2-epimerase RmCE in complex with mannobiose

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)	1.10
Spacegroup name	P 21 21 21
Unit cell lengths	41.791, 87.184, 93.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.875 - 1.700
R-factor	0.1628
Rwork	0.161
R-free	0.19610
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	38522	6059
<I/σ(I)>	11.81
Completeness [%]	99.7
Redundancy	6.63
CC(1/2)	0.998	0.756

Crystallization Conditions

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