7X0H

Crystal structure of sugar binding protein CbpA complexed wtih glucose 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	2019-03-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	C 2 2 21
Unit cell lengths	75.873, 234.616, 196.325
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.485 - 1.850
R-factor	0.1632
Rwork	0.162
R-free	0.18820
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]	48.485	48.485	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.164	0.033	1.005
Rmeas	0.177	0.036	1.085
Total number of observations	2002568
Number of reflections	148842	3192	21477
<I/σ(I)>	9.56	35.94	2
Completeness [%]	100.0	99	100
Redundancy	6.93	7.036	7.075
CC(1/2)	0.997	1.000	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M HEPES, pH 7.5, 2.0 M Ammonium sulfate