4JO5

CBM3a-L domain with flanking linkers from scaffoldin cipA of cellulosome of Clostridium thermocellum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9725
Spacegroup name	P 41 3 2
Unit cell lengths	109.005, 109.005, 109.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.133 - 1.980
R-factor	0.1743
Rwork	0.172
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ncb
RMSD bond length	0.010
RMSD bond angle	1.337
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (dev_1389)

Data quality characteristics

	Overall
Low resolution limit [Å]	77.078
High resolution limit [Å]	1.980
Rmerge	0.110
Number of reflections	16044
<I/σ(I)>	34.51
Completeness [%]	100.0
Redundancy	25

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	290	1.275 M ammonium sulfate, 0.085 M Tris, pH 8.5, 25.2% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K