3SFW

Crystal structure of dihydropyrimidinase from Brevibacillus agri NCHU1002

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL17B2
Synchrotron site	NSRRC
Beamline	BL17B2
Temperature [K]	77
Detector technology	IMAGE PLATE
Collection date	2004-10-08
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	65.807, 109.112, 140.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.730
R-factor	0.14874
Rwork	0.147
R-free	0.18958
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k1d
RMSD bond length	0.018
RMSD bond angle	1.412
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.790
High resolution limit [Å]	1.730	1.730
Number of reflections	100472
Completeness [%]	99.6	92.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	0.1M Na-Acetate, 32% MPD, 0.04M CaCl2, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K