4IU2

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)	0.97841
Spacegroup name	P 43 21 2
Unit cell lengths	78.714, 78.714, 203.238
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.030 - 2.001
R-factor	0.1552
Rwork	0.153
R-free	0.19560
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	0.945
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]	20.030
High resolution limit [Å]	2.000
Rmerge	0.137
Number of reflections	44177
<I/σ(I)>	17.1
Completeness [%]	100.0
Redundancy	11

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