1INV

A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES

Experimental procedure

Spacegroup name	P 4 21 2
Unit cell lengths	124.730, 124.730, 71.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.400
R-factor	0.154
Rwork	0.154
RMSD bond length	0.012
RMSD bond angle	1.770
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	9999.000 *
High resolution limit [Å]	2.380 *
Rmerge	0.097 *
Number of reflections	17019
Completeness [%]	72.3
Redundancy	2.23 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4 *		NATIVE CRYSTALS SOAKED IN 10MM EPANA SOLUTION, PH 7.4.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	0.01 (M)
2	1	reservoir		2 (M)
3	1	reservoir		5 (mM)
4	1	reservoir	PEG3350	15 (%(w/v))