1DIL

SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH APANA AND EPANA INHIBITORS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1993-07-17
Detector	MARRESEARCH
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 - 1.900
R-factor	0.187
Rwork	0.187
Structure solution method	DIFFERENCE MAP
Starting model (for MR)	2sim
RMSD bond length	0.008
RMSD bond angle	1.770
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9999.000 *	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.057	0.088 *
Total number of observations	100231 *
Number of reflections	27890
<I/σ(I)>	7.8	5.7
Completeness [%]	95.8	96.9
Redundancy	3.6	3.5

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	reservoir	potassium phosphate	1.9 (M)
3	1	reservoir	potassium phosphate	2.1 (M)