1MWE

THE X-RAY STRUCTURE OF A COMPLEX OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE COMPLEXED WITH SIALIC ACID AT 4 DEGREES C REVEALING A SECOND SIALIC ACID BINDING SITE

Experimental procedure

Source type	ROTATING ANODE
Source details	MACSCIENCE M18X
Temperature [K]	106
Detector technology	IMAGE PLATE
Collection date	1997-01
Detector	RIGAKU RAXIS II
Spacegroup name	I 4 3 2
Unit cell lengths	181.040, 181.040, 181.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.700
R-factor	0.178 *
R-free	0.20500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	TERN N9 NEURAMINIDASE
RMSD bond length	0.016
RMSD bond angle	25.600 *
Data reduction software	PROTEIN (V4)
Data scaling software	PROTEIN (V. 4)
Phasing software	X-PLOR (3.0)
Refinement software	X-PLOR (3.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.076
Total number of observations	291377 *
Number of reflections	45647 *
<I/σ(I)>	9.6
Completeness [%]	96.6	91.8
Redundancy	5.07

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.6 *		Laver, W.G., (1984) Virology, 137, 314. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	potassium phosphate	1.7 (M)
2	1	drop	protein	10 (mg/ml)
3	1	reservoir	potassium phosphate	1.9 (M)