8X39

Crystal structure of cellulosomal double-dockerin module of Clo1313_0689 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)	0.97849
Spacegroup name	P 21 21 21
Unit cell lengths	58.160, 68.950, 74.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.730 - 1.700
R-factor	0.168
Rwork	0.166
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.012
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.730	1.740
High resolution limit [Å]	1.700	1.700
Number of reflections	63223	4690
<I/σ(I)>	13.23	2.5
Completeness [%]	99.9
Redundancy	6.68
CC(1/2)	0.998	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		316	0.1 M bis-Tris, 25% (w/v) polyethylene glycol 3,350, pH 5.5