3DC8

Crystal structure of dihydropyrimidinase from Sinorhizobium meliloti

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-31
Detector	BRUKER SMART 6000
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	124.887, 126.281, 196.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.600 - 1.850
R-factor	0.149
Rwork	0.148
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yny 1kcx 1k1d
RMSD bond length	0.028
RMSD bond angle	1.644
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.890	1.900
High resolution limit [Å]	1.850	1.850
Number of reflections	129593
<I/σ(I)>	13	3.11
Completeness [%]	98.4	89.1
Redundancy	3.47	1.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	4.6	293	4.0M sodium formate, 0.1M sodium acetate, pH 4.6, COUNTER-DIFFUSION, temperature 293K