8WBV

The crystal structure of linear mannose with mutant H247F of the cellobiose 2-epimerase from Caldicellulosiruptor saccharolyticus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	293
Detector technology	PIXEL
Collection date	2017-02-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	55.790, 75.850, 97.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.877 - 1.950
R-factor	0.178
Rwork	0.175
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.849
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]	50.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.084	0.521
Number of reflections	28308	2179
<I/σ(I)>	11.35	2.44
Completeness [%]	92.0	96.6
Redundancy	3.27	3.62
CC(1/2)	0.995	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.8M NaCl,0.1Tris-HCI pH 8.5, 32% PEG3350