9GVB

Ruminococcus flavefaciens Coh-Doc complex between a group 2 Dockerin and the Cohesin from cell surface attached scaffoldin ScaE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97626
Spacegroup name	P 64
Unit cell lengths	142.390, 142.390, 57.596
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.300 - 2.970
R-factor	0.19175
Rwork	0.190
R-free	0.21341
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	2.002
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.300	3.022
High resolution limit [Å]	2.970	2.971
Rmerge	0.039	0.338
Rmeas	0.048	0.411
Rpim	0.028	0.230
Number of reflections	13695	694
<I/σ(I)>	15.2	2.4
Completeness [%]	97.8
Redundancy	2.8	2.9
CC(1/2)		0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Lithium acetate dihydrate pH 7.9 and, 20% w/v Polyethylene glycol 3350