1HV6

CRYSTAL STRUCTURE OF ALGINATE LYASE A1-III COMPLEXED WITH TRISACCHARIDE PRODUCT.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	2000-07-09
Detector	SIEMENS HI-STAR
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	48.765, 92.920, 82.220
Unit cell angles	90.00, 104.11, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.158
Rwork	0.158
R-free	0.19700
Starting model (for MR)	1qaz
RMSD bond length	0.007
RMSD bond angle	21.000 *
Data reduction software	SAINT
Data scaling software	SAINT
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.600	2.040
High resolution limit [Å]	1.960	1.960
Rmerge	0.052 *
Total number of observations	62008 *
Number of reflections	23455
<I/σ(I)>	2.02
Completeness [%]	92.5	77.3
Redundancy	2.57

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	ammonium sulfate, hepes buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	reservoir	HEPES	0.1 (M)
3	1	reservoir	ammonium sulfate	48 (%(w/v))