5LXV

Crystal structure of Ruminococcus flavefaciens scaffoldin C cohesin in complex with a dockerin from an uncharacterized CBM-containing protein

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	59.590, 66.730, 109.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.000 - 2.400
R-factor	0.2188
Rwork	0.217
R-free	0.25980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ccl
RMSD bond length	0.005
RMSD bond angle	0.949
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.590	59.590	2.500
High resolution limit [Å]	2.400	8.650	2.400
Rmerge	0.080	0.033	0.321
Number of reflections	17195
<I/σ(I)>	51.7
Completeness [%]	97.6	98.1	99.3
Redundancy	4	4.1	4
CC(1/2)	0.985	0.964	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.1 M potassium thiocyanate, 30% w/v PEG 2000 MME