1WVR

Crystal Structure of a CRISP family Ca-channel blocker derived from snake venom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-02
Detector	MARRESEARCH
Wavelength(s)	1.0403
Spacegroup name	P 43 21 2
Unit cell lengths	83.374, 83.374, 85.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.110 - 2.400
R-factor	0.227
Rwork	0.227
R-free	0.28200
Structure solution method	Crystal 1 SINGLE WAVELENGTH PROTOCOL, Crysatl 2 MAD PROTOCOL
RMSD bond length	0.006
RMSD bond angle	1.200
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.110	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.063	0.518
Number of reflections	13969
<I/σ(I)>	8.25	1.6
Completeness [%]	99.4	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Tris-HCl, PEG 400, sodium acetate, sodium cadmium, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	Tris-HCl, PEG 400, sodium acetate, sodium cadmium, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	Tris-HCl, PEG 400, sodium acetate, sodium cadmium, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K