1H6Y

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 61 2 2
Unit cell lengths	89.869, 89.869, 209.003
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.200
Rwork	0.194
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dyo
RMSD bond length	0.011 *
RMSD bond angle	1.377 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.068	0.350
Number of reflections	26510
<I/σ(I)>	24	5.8
Completeness [%]	99.9	100
Redundancy	28.3	25.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		0.1 M NAAC(PH 4.6),10 MM DTT, 25% GLYCEROL,12% PEG8000

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	50 (mg/ml)
2	1	drop		0.1 (mg/ml)	pH4.6
3	1	drop	dithiothreitol	10 (mM)
4	1	drop	glycerol	25 (%(v/v))
5	1	drop	PEG8000	12 (%(w/v))