3OPX

Crystal structure of pyrimidine 5 -nucleotidase SDT1 from Saccharomyces cerevisiae complexed with uridine 5'-monophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-26
Detector	RAYONIX MX-225
Wavelength(s)	0.9194
Spacegroup name	P 21 21 21
Unit cell lengths	41.198, 78.037, 82.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.201 - 1.700
R-factor	0.2141
Rwork	0.212
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3onn
RMSD bond length	0.007
RMSD bond angle	1.092
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.051	0.347
Number of reflections	30137
<I/σ(I)>	39.6	5.4
Completeness [%]	99.9	100
Redundancy	7.3	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	287	30% PEG4000, 0.1M Tris-HCl buffer, pH 8.5, 0.2M sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 287.0K