3A0O

Crystal structure of alginate lyase from Agrobacterium tumefaciens C58

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-20
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	64.153, 68.240, 108.895
Unit cell angles	78.32, 89.29, 88.56

Refinement procedure

Resolution	40.850 - 2.110
R-factor	0.18306
Rwork	0.181
R-free	0.22307
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.035
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.058	0.248
Number of reflections	104273
<I/σ(I)>	5.3	2.3
Completeness [%]	96.7	88.7
Redundancy	2.5	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	24% PEG 4000, 0.16M magnesium chloride, 0.08M TRIS, 20% glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	24% PEG 4000, 0.16M magnesium chloride, 0.08M TRIS, 20% glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K