4GZ7

The crystal structure of Apo-dihydropyrimidinase from Tetraodon nigroviridis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4r
Spacegroup name	I 41 2 2
Unit cell lengths	160.823, 160.823, 94.547
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.1606
Rwork	0.159
R-free	0.19472
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	2.041
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44886.000	2.100
High resolution limit [Å]	1.950	1.950
Rmerge		0.300
Number of reflections	44645
<I/σ(I)>	25.6	11.8
Completeness [%]	99.3	100
Redundancy	9.7	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1M lithium sulfate monohydrat, PEG 4000 12% w/v, iso-propanol 2% v/v, n-(2-acetamido)-iminodiacetic acid (ADA) buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1M lithium sulfate monohydrat, PEG 4000 12% w/v, iso-propanol 2% v/v, n-(2-acetamido)-iminodiacetic acid (ADA) buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K