7X0M

Crystal structure of sugar binding protein CbpB complexed wtih cellopentaose from Clostridium thermocellum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	72.320, 46.510, 119.380
Unit cell angles	90.00, 107.61, 90.00

Refinement procedure

Resolution	38.555 - 2.000
R-factor	0.1795
Rwork	0.178
R-free	0.20910
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]	38.555	38.555	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.118	0.053	0.466
Rmeas	0.162	0.074	0.633
Total number of observations	159133
Number of reflections	83500	952	6481
<I/σ(I)>	7.12	12.67	3.98
Completeness [%]	83.3	84.3	87.8
Redundancy	1.906	1.938	2.005
CC(1/2)	0.981	0.985	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	0.1 M Sodium acetate, pH 4.5, 20% w/v Polyethylene glycol 3350