4IU3

Cohesin-dockerin -X domain complex from Ruminococcus flavefacience

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97833
Spacegroup name	P 43 21 2
Unit cell lengths	78.533, 78.533, 202.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.637 - 1.970
R-factor	0.172
Rwork	0.170
R-free	0.20630
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.023
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine: dev_1269))

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.970
Rmerge	0.107
Number of reflections	46047
<I/σ(I)>	16.4
Completeness [%]	98.5
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M Tris pH 8.5, ammonium sulfate 1.8 M, VAPOR DIFFUSION, HANGING DROP, temperature 293K