3UL4

Crystal structure of Coh-OlpA(Cthe_3080)-Doc918(Cthe_0918) 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	I 41 2 2
Unit cell lengths	130.050, 130.050, 70.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.790 - 1.950
R-factor	0.176
Rwork	0.175
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.314
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	BALBES
Refinement software	PHENIX (1.7.2_865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.959	2.050
High resolution limit [Å]	1.946	1.950
Rmerge		0.420
Number of reflections	22341
<I/σ(I)>	23.3	1.8
Completeness [%]	100.0	100
Redundancy	14.4	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	293	0.2 M lithium sulfate, 10% w/v PEG 8000+, 10% w/v PEG 1000, pH 7.5, vapor diffusion, hanging drop, temperature 293K