2DD5

Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus native holo-enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2005-02-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	170.187, 170.187, 282.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.800 - 2.000
R-factor	0.185
Rwork	0.185
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dd4
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Number of reflections	278076

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	2.0M ammonium sulfate, 0.1M potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K