5M2S

R. flavefaciens' third ScaB cohesin in complex with a group 1 dockerin

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	2014-10-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98402
Spacegroup name	P 1 21 1
Unit cell lengths	45.610, 64.490, 47.670
Unit cell angles	90.00, 116.72, 90.00

Refinement procedure

Resolution	42.580 - 1.700
R-factor	0.135
Rwork	0.134
R-free	0.15660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m2o
RMSD bond length	0.010
RMSD bond angle	1.420
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.580	32.240	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.115	0.063	0.287
Number of reflections	26498
<I/σ(I)>	9.3
Completeness [%]	97.5	94.9	84.6
Redundancy	4.2	4.4	3
CC(1/2)	0.991	0.988	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	0.2 M calcium acetate, 0.2 M sodium cacodylate trihydrate, 18% w/v PEG 8000