7X0O

Crystal structure of sugar binding protein CbpC 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	2017-06-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	67.810, 80.060, 170.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.587 - 2.000
R-factor	0.2323
Rwork	0.231
R-free	0.25970
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]	42.587	42.587	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.087	0.045	0.688
Rmeas	0.102	0.052	0.845
Total number of observations	365052
Number of reflections	103492	1311	5606
<I/σ(I)>	9.5	19.32	1.47
Completeness [%]	85.6	97.4	62.7
Redundancy	3.527	3.716	2.482
CC(1/2)	0.995	0.995	0.441

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	0.1M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3350