2Z00

Crystal structure of dihydroorotase from Thermus thermophilus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-08
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.9792, 0.9000, 0.9797
Spacegroup name	P 65 2 2
Unit cell lengths	129.937, 129.937, 209.906
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.850 - 2.420
R-factor	0.188
Rwork	0.188
R-free	0.19200
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.800
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	2.510
High resolution limit [Å]	2.420	2.420
Rmerge	0.067
Number of reflections	297429
Completeness [%]	98.8	95.7
Redundancy	2.8	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	3.04M Sodium Chloride, 0.95M Bis-Tris Propane, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K