4DH2

Crystal structure of Coh-OlpC(Cthe_0452)-Doc435(Cthe_0435) complex: A novel type I Cohesin-Dockerin complex from Clostridium thermocellum ATTC 27405

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-24
Detector	ADSC QUANTUM 4r
Spacegroup name	P 32 2 1
Unit cell lengths	90.760, 90.760, 135.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.300 - 1.750
R-factor	0.183
Rwork	0.181
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ccl
RMSD bond length	0.014
RMSD bond angle	1.296
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	DM (6.0)
Refinement software	PHENIX (1.7.2_865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.600	1.840
High resolution limit [Å]	1.745	1.740
Rmerge		0.887
Number of reflections	66027
<I/σ(I)>	18.7	2.4
Completeness [%]	99.9	99.6
Redundancy	14.9	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6	293	2 M ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K