5N5P

Crystal structure of Ruminococcus flavefaciens' type III complex containing the fifth cohesin from scaffoldin B and the dockerin from scaffoldin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.82655
Spacegroup name	P 1 21 1
Unit cell lengths	30.093, 142.898, 46.588
Unit cell angles	90.00, 90.75, 90.00

Refinement procedure

Resolution	46.580 - 1.980
R-factor	0.1835
Rwork	0.182
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lxv
RMSD bond length	0.010
RMSD bond angle	1.390
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.630	47.630	2.050
High resolution limit [Å]	1.400	8.940	2.000
Rmerge	0.098	0.064	0.294
Rmeas	0.106	0.069	0.318
Rpim	0.040	0.026	0.120
Number of reflections	26512
<I/σ(I)>	8.8
Completeness [%]	100.0	99.7	99.8
Redundancy	6.9	6.7	6.9
CC(1/2)	0.995	0.997	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.1M HEPES 7.5, 1.2M Sodium Citrate, 4% v/v Acetonitrile