1GMM

Carbohydrate binding module CBM6 from xylanase U Clostridium thermocellum

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2000-12-15
Wavelength(s)	0.9793, 0.9795, 0.9465, 0.933
Spacegroup name	P 65 2 2
Unit cell lengths	59.650, 59.650, 157.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.000 * - 2.100 *
R-factor	0.2 *
Rwork	0.208
R-free	0.21600 *
Structure solution method	MAD
RMSD bond length	0.009 *
RMSD bond angle	1.550 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.220	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.055 *	0.204
Number of reflections	11981
<I/σ(I)>	9.3	1.2
Completeness [%]	99.3	98.2
Redundancy	6.6	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5 *	4 *	30% PEG 4000, 100MM NA-CITRATE PH 5.5, 100MM (NH4)2SO4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop	sodium acetate	20 (mM)	pH5.0
3	1	reservoir	PEG4000	30 (%)
4	1	reservoir	sodium citrate	100 (mM)	pH5.5
5	1	reservoir	ammonium sulfate	100 (mM)