1DIM

SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH EPANA INHIBITOR

Experimental procedure

Temperature [K]	289
Detector technology	AREA DETECTOR
Collection date	1992-12-05
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	47.400, 82.300, 91.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.600
R-factor	0.18
Rwork	0.180
Structure solution method	DIFFERENCE MAP
Starting model (for MR)	2sim
RMSD bond length	0.009
RMSD bond angle	1.790
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9999.000 *	1.660
High resolution limit [Å]	2.400	1.600
Rmerge	0.054	0.078
Total number of observations	189373 *
Number of reflections	43572 *
<I/σ(I)>	14.8	6.8
Completeness [%]	89.6	87.8
Redundancy	3.3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.2 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	neuraminidase	10-15 (mg/ml)
2	1	drop	potassium phosphate	1.9 (M)
3	1	reservoir	potassium phosphate	2.1 (M)