1UP7

Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.4 Angstrom resolution in the tetragonal form with NAD and glucose-6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	120
Detector technology	CCD
Collection date	2003-06-15
Detector	ADSC CCD
Spacegroup name	P 43 21 2
Unit cell lengths	178.132, 178.132, 278.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.960 - 2.400
R-factor	0.201
Rwork	0.199
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SE-MET STRUCTURE
RMSD bond length	0.013
RMSD bond angle	1.425
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	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.083	0.461
Number of reflections	170857
<I/σ(I)>	22.4	3.5
Completeness [%]	98.3	98.3
Redundancy	6.8	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		200 MM CALCIUM ACETATE, 100MM SODIUM ACETATE PH 4.6, 25% PEG500DME, 0.2MM NAD+, 1MM PNP-BETA-D-GLUCOSE-6-PHOSPHATE, 2MM MNS04. PROTEIN AT 5 MG/ML WITH THE COFACTORS IN THE SAME CONCENTRATION AS ABOVE.