5ZIG

The Structure of cellobiose 2-epimerase from Spirochaeta thermophila DSM 6192

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979460
Spacegroup name	P 1 21 1
Unit cell lengths	67.530, 205.164, 67.723
Unit cell angles	90.00, 104.26, 90.00

Refinement procedure

Resolution	32.746 - 2.050
R-factor	0.199
Rwork	0.196
R-free	0.26690
RMSD bond length	0.008
RMSD bond angle	0.898
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.600	2.100
High resolution limit [Å]	2.050	2.050
Rmerge	0.042	0.381
Rmeas	0.057	0.520
Number of reflections	96356	6722
<I/σ(I)>	12.94	2.11
Completeness [%]	86.5	82.2
Redundancy	1.86	1.77
CC(1/2)	0.999	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Ca Acetate, 0.1M Bis-Tris-HCl, pH8.5, 20% PEG 3350