3SLI

LEECH INTRAMOLECULAR TRANS-SIALIDASE COMPLEXED WITH 2,7-ANHYDRO-NEU5AC PREPARED BY SOAKING WITH 3'-SIALYLLACTOSE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-06-24
Detector	MACSCIENCE
Spacegroup name	P 1
Unit cell lengths	46.196, 69.290, 72.323
Unit cell angles	112.78, 95.62, 107.14

Refinement procedure

Resolution	15.000 - 1.800
R-factor	0.187
Rwork	0.187
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NATIVE STRUCTURE
RMSD bond length	0.008
RMSD bond angle	26.600 *
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	0.051 *	0.205 *
Total number of observations	123968 *
Number of reflections	65343
<I/σ(I)>	10.7	3
Completeness [%]	91.9	81.6
Redundancy	1.8	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.2	277 *	Luo, Y., (1998) Acta Cryst., D54, 111. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	PEG6000	20 (%)
3	1	reservoir	cacodylate	0.1 (M)
4	1	reservoir		0.25 (M)