2QWE

THE X-RAY STRUCTURE OF A COMPLEX OF 4-GUANIDINO-NEU5AC2EN AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE

Experimental procedure

Source type	ROTATING ANODE
Source details	MACSCIENCE M18X
Temperature [K]	107
Detector technology	IMAGE PLATE
Collection date	1996-08-05
Detector	RIGAKU RAXIS II
Spacegroup name	I 4 3 2
Unit cell lengths	180.850, 180.850, 180.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.000
R-factor	0.149
Rwork	0.149
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	TERN N9 NEURAMINIDASE
RMSD bond length	0.013
RMSD bond angle	1.860
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	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.099 *
Total number of observations	227793 *
Number of reflections	29925
Completeness [%]	78.3	51
Redundancy	7.61

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)