1UXX

CBM6ct from Clostridium thermocellum in complex with xylopentaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Collection date	2003-03-15
Spacegroup name	P 1 21 1
Unit cell lengths	27.480, 51.680, 36.130
Unit cell angles	90.00, 102.78, 90.00

Refinement procedure

Resolution	51.990 - 1.600
R-factor	0.182
Rwork	0.180
R-free	0.22100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gmm
RMSD bond length	0.012
RMSD bond angle	1.455
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.030	0.094
Number of reflections	13033
<I/σ(I)>	16	9.1
Completeness [%]	99.5	99.9
Redundancy	3.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		20% PEG 1000, 0.2 M SODIUM ACETATE, 0.1 M ACETATE BUFFER PH4.6, pH 4.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	reservoir	PEG6000	12 (%(w/v))
3	1	reservoir		2.2 (M)