1JVA

CRYSTAL STRUCTURE OF THE VMA1-DERIVED ENDONUCLEASE BEARING THE N AND C EXTEIN PROPEPTIDES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL40B2
Synchrotron site	SPring-8
Beamline	BL40B2
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2000-01-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	0.7000
Spacegroup name	P 1
Unit cell lengths	66.178, 68.846, 58.524
Unit cell angles	103.10, 98.79, 78.98

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.2
Rwork	0.198
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vde
RMSD bond length	0.006
RMSD bond angle	1.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.032	0.155
Total number of observations	122186 *
Number of reflections	51056	4038 *
<I/σ(I)>	30.6	2.63
Completeness [%]	89.4	70.9
Redundancy	2.39	1.63

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	20 *	PEG6000, BisTrisHCl, mercaptoethanol, magnesium chloride, cadmium chloride, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG6000	17 (%(w/v))
2	1	reservoir	Bis-Tris-HCl	0.1 (M)	pH6.2
3	1	reservoir	2-mercaptoethanol	10 (mM)
4	1	reservoir		10 (mM)
5	1	reservoir		1 (mM)