1U8X

CRYSTAL STRUCTURE OF GLVA FROM BACILLUS SUBTILIS, A METAL-REQUIRING, NAD-DEPENDENT 6-PHOSPHO-ALPHA-GLUCOSIDASE

Replaces:  1NRH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	77.4
Detector technology	CCD
Collection date	2002-11-24
Detector	MARRESEARCH
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	82.604, 102.017, 144.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.020 - 2.050
R-factor	0.197
Rwork	0.195
R-free	0.22100
Structure solution method	SAD
Starting model (for MR)	AUTO-BUILT MODEL FROM RESOLVE
RMSD bond length	0.012
RMSD bond angle	1.332
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.100
High resolution limit [Å]	2.050	2.050
Rmerge	0.102	0.569
Number of reflections	38535
<I/σ(I)>	11.3
Completeness [%]	99.8	99.9
Redundancy	7.5	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	0.2M MgCl2, 0.1M Tris-Cl, pH8.0, 28% PEG4000, 10% (v/v)glycerol, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 295K