7X0I

Crystal structure of sugar binding protein CbpB from Clostridium thermocellum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	63.460, 67.350, 180.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.118 - 1.700
R-factor	0.166
Rwork	0.165
R-free	0.20220
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.118	41.118	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.123	0.071	0.992
Rmeas	0.133	0.078	1.077
Total number of observations	1123151
Number of reflections	163957	1823	12167
<I/σ(I)>	12.41	24.6	2.09
Completeness [%]	99.6	99	99.6
Redundancy	6.85	6.354	6.706
CC(1/2)	0.996	0.991	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	0.1 M Sodium acetate, pH 4.5, 18% w/v Polyethylene glycol 3350