1SLI

LEECH INTRAMOLECULAR TRANS-SIALIDASE COMPLEXED WITH DANA

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-05-24
Detector	MACSCIENCE
Spacegroup name	P 1
Unit cell lengths	46.443, 69.516, 72.514
Unit cell angles	113.14, 95.39, 106.87

Refinement procedure

Resolution	6.000 - 2.000
R-factor	0.182 *
Rwork	0.167
R-free	0.22800 *
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	NATIVE STRUCTURE
RMSD bond length	0.007 *
RMSD bond angle	1.610 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.85)
Refinement software	X-PLOR (3.85)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.043	0.248
Total number of observations	72285 *
Number of reflections	53170
<I/σ(I)>	9.6	3.8
Completeness [%]	74.0	56.3
Redundancy	1.4	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.3		pH 6.3

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	5 (mg/ml)
2	1	reservoir	cacodylate	0.1 (M)
3	1	reservoir	PEG6000	20 (%)
4	1	reservoir		0.25 (M)