5M2O

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	42.767, 63.510, 84.482
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.270 - 1.260
R-factor	0.1356
Rwork	0.135
R-free	0.15350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5aoz
RMSD bond length	0.012
RMSD bond angle	1.485
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.2.12)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.270	20.270	1.290
High resolution limit [Å]	1.260	5.630	1.260
Rmerge	0.243	0.196	0.631
Rmeas	0.261
Rpim	0.094
Total number of observations	461036
Number of reflections	62659
<I/σ(I)>	5.7
Completeness [%]	99.6	98.1	97.9
Redundancy	7.4	8.1	6.1
CC(1/2)	0.976	0.971	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	0.2 M ammonium nitrate, 20% w/v PEG 3550