1OIN

Family 1 b-glucosidase from Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-15
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	94.910, 94.980, 113.928
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.150
R-factor	0.204
Rwork	0.201
R-free	0.25000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1od0
RMSD bond length	0.018
RMSD bond angle	1.620 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.057 *	0.400 *
Number of reflections	56583
<I/σ(I)>	25.56	5.14
Completeness [%]	100.0	100
Redundancy	5.4	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	18 *	10MG/ML PROTEIN IN 15% PEG 4K, 0.2 M CAAC, 0.1M IMIDAZOLE PH7, pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10 (mg/ml)
2	1	drop	imidazole	50 (mM)	pH7.
3	1	reservoir	PEG4000	15 (%)
4	1	reservoir		0.2 (M)
5	1	reservoir	imidazole	0.1 (M)	pH7.