1QAZ

CRYSTAL STRUCTURE OF ALGINATE LYASE A1-III FROM SPHINGOMONAS SPECIES A1 AT 1.78A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1998-10-23
Detector	SIEMENS HI-STAR
Spacegroup name	C 1 2 1
Unit cell lengths	48.900, 92.400, 81.600
Unit cell angles	90.00, 104.00, 90.00

Refinement procedure

Resolution	10.000 - 1.780
Rwork	0.180
R-free	0.23300
RMSD bond length	0.012
RMSD bond angle	2.670
Data reduction software	SADIE
Data scaling software	SADIE
Phasing software	PHASES
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.310	1.840
High resolution limit [Å]	1.790	1.780
Rmerge	0.050 *
Total number of observations	127587 *
Number of reflections	34661 *
<I/σ(I)>	7.9
Completeness [%]	90.2 *	49.9
Redundancy	2.12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	20 *	drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	(NH4)2SO4
2	1	1	HEPES
3	1	2	(NH4)2SO4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	17.2 (mg/ml)
2	1	drop		0.1 (M)
3	1	reservoir	ammonium sulfate	47-49 (%sat)
4	1	reservoir	HEPES	0.1 (M)