3VTA

Crystal Structure of cucumisin, a subtilisin-like endoprotease from Cucumis melo L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	110
Detector technology	CCD
Collection date	2010-05-19
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	H 3
Unit cell lengths	149.483, 149.483, 218.035
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.640 - 2.750
R-factor	0.214
Rwork	0.214
R-free	0.26200
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.750	2.750
Number of reflections	46877
<I/σ(I)>	12.1
Completeness [%]	100.0	100
Redundancy	4.6	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M imidazole, 0.8M sodium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M imidazole, 0.8M sodium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M imidazole, 0.8M sodium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K