1BJI

THE X-RAY STRUCTURE OF A COMPLEX OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE COMPLEXED WITH THE GLAXO 6-CARBOXAMIDE SIALIC ACID ANALOGUE GR217029

Experimental procedure

Source type	ROTATING ANODE
Source details	MACSCIENCE M18X
Temperature [K]	300
Detector technology	IMAGE PLATE
Collection date	1994-06-10
Detector	RIGAKU
Spacegroup name	I 4 3 2
Unit cell lengths	182.800, 182.800, 182.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.000
R-factor	0.155
Rwork	0.155
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	TERN N9 NEURAMINIDASE
RMSD bond length	0.014
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	2.151
High resolution limit [Å]	2.000	2.012
Rmerge	0.096
Total number of observations	119194 *
Number of reflections	23918 *
Completeness [%]	68.0	27
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	10-15 (mg/ml)
3	1	reservoir	potassium phosphate	1.9 (M)