7X0G

Crystal structure of sugar binding protein CbpA 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	2016-11-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	124.070, 94.460, 58.500
Unit cell angles	90.00, 114.94, 90.00

Refinement procedure

Resolution	47.230 - 2.100
R-factor	0.2628
Rwork	0.261
R-free	0.28640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h3h
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]	47.230	47.230	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.086	0.057	0.215
Rmeas	0.118	0.080	0.290
Total number of observations	130875
Number of reflections	68775	580	5175
<I/σ(I)>	6.08	8.65	2.98
Completeness [%]	97.5	72	99
Redundancy	1.903	1.797	1.9
CC(1/2)	0.982	0.979	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.2 M MgCl2, 0.1 M Tris, pH 8.5, 23% w/v Polyethylene glycol 3350