8AJY

Ruminococcus flavefaciens Cohesin-Dockerin structure: dockerin from ScaH adaptor scaffoldin in complex with the cohesin from ScaE anchoring scaffoldin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.873127
Spacegroup name	P 1 21 1
Unit cell lengths	40.810, 120.000, 65.950
Unit cell angles	90.00, 97.77, 90.00

Refinement procedure

Resolution	65.340 - 1.710
R-factor	0.1961
Rwork	0.194
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iu2
RMSD bond length	0.015
RMSD bond angle	1.878
Data reduction software	autoPROC (1.1.7)
Data scaling software	autoPROC (1.1.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.344	1.743
High resolution limit [Å]	1.710	1.714
Rmerge	0.108	0.500
Rmeas	0.124	0.590
Rpim	0.061	0.308
Number of reflections	66981	3283
<I/σ(I)>	8	2.1
Completeness [%]	99.6	99.3
Redundancy	3.8	3.4
CC(1/2)	0.994	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Lithium sulfate monohydrate, 0.1 M TRIS hydrochloride pH 8.5 and 30% w/v Polyethylene glycol 4000