7X0K

Crystal structure of sugar binding protein CbpB complexed wtih cellotriose 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	2018-05-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	69.440, 44.150, 113.060
Unit cell angles	90.00, 103.98, 90.00

Refinement procedure

Resolution	40.958 - 1.700
R-factor	0.1806
Rwork	0.180
R-free	0.21560
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]	40.958	40.958	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.114	0.073	0.809
Rmeas	0.133	0.086	0.950
Number of reflections	136991	1507	10092
<I/σ(I)>	6.88	16.96	1.54
Completeness [%]	95.6	94.4	95.8
Redundancy	3.485	3.617	3.497
CC(1/2)	0.993	0.989	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	0.2 M Ammonium phosphate monobasic, pH 4.6, 22% w/v Polyethylene glycol 3350