2QWC

THE X-RAY STRUCTURE OF A COMPLEX OF 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	1996-11-20
Detector	RIGAKU
Spacegroup name	I 4 3 2
Unit cell lengths	180.800, 180.800, 180.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.600
R-factor	0.173
Rwork	0.173
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	TERN N9 R292K MUTANT NEURAMINIDASE
RMSD bond length	0.014
RMSD bond angle	1.810 *
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	1.656
High resolution limit [Å]	1.600	1.600
Rmerge	0.089
Total number of observations	250274 *
Number of reflections	48031
Completeness [%]	72.4	19
Redundancy	5.2

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)