2DE2

Crystal structure of desulfurization enzyme DSZB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	90
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	36.660, 82.590, 139.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.800 - 1.800
Rwork	0.180
R-free	0.19800
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.800	1.900
High resolution limit [Å]	1.800	1.800
Number of reflections	139971
Completeness [%]	99.4	98.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		PEG6000, HEPES, PEG8000, MAGNESIUM ACETATE, PH 7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K, pH 7.00