1H6X

The role of conserved amino acids in the cleft of the C-terminal family 22 carbohydrate binding module of Clostridium thermocellum Xyn10B in ligand binding

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-15
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	38.680, 38.680, 207.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.250
Rwork	0.214
R-free	0.25700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dyo
RMSD bond length	0.009 *
RMSD bond angle	1.259 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.062	0.367
Number of reflections	8438
<I/σ(I)>	29.7	4.83
Completeness [%]	98.0	97
Redundancy	7.21	6.35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7		1.7 M AMMONIUM SULPHATE, pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	50 (mg/ml)
2	1	drop	ammonium sulfate	1.7 (M)