1HAV

HEPATITIS A VIRUS 3C PROTEINASE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1994-10-30
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 1
Unit cell lengths	53.600, 53.550, 53.200
Unit cell angles	99.08, 129.00, 103.31

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.211
Rwork	0.211
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	INACTIVE DOUBLE MUTANT OF ALLAIRE ET AL. (1994) SEE REFERENCE 2.
RMSD bond length	0.011
RMSD bond angle	27.700 *
Data reduction software	SDMS
Data scaling software	BIOMOL
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.150
High resolution limit [Å]	2.000	2.000
Rmerge	0.067	0.271
Total number of observations	64410 *
Number of reflections	25299	3841 *
<I/σ(I)>	9.1	1.4
Completeness [%]	87.0	67.2 *
Redundancy	2.4	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5		used to seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	mPEG2000	20 (%)
3	1	reservoir		1.0 (M)
4	1	reservoir	beta-mercaptoethanol	3 (mM)
5	1	reservoir	Tris-HCl	0.1 (M)	pH8.5