1LVB

CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH SUBSTRATE

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	112
Detector technology	CCD
Collection date	2001-12-19
Detector	MARRESEARCH
Wavelength(s)	0.9755,0.9794,0.9796
Spacegroup name	P 42 21 2
Unit cell lengths	125.317, 125.317, 127.933
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.200
Rwork	0.236
R-free	0.26300
Structure solution method	MAD
RMSD bond length	0.020 *
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.080
Number of reflections	51139 *
Completeness [%]	97.8 *	90.3
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	18 *	PEG 6000, Tris, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13.5 (mg/ml)
2	1	reservoir	PEG6000	8 (%(w/v))
3	1	reservoir	Tris-HCl	100 (mM)	pH8.0