4NY1

X-ray structure of the unliganded uridine phosphorylase from Yersinia pseudotuberculosis at 1.7 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-08
Detector	Bruker Platinum 135
Wavelength(s)	1.5419
Spacegroup name	H 3
Unit cell lengths	150.742, 150.742, 46.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.686 - 1.700
R-factor	0.1631
Rwork	0.162
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.010
Data reduction software	PROTEUM PLUS (PLUS)
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.400	1.920	1.730
High resolution limit [Å]	1.700	1.870	1.700
Rmerge	0.058	0.137	0.335
Number of reflections	42114
<I/σ(I)>	9.29	3.9	1.64
Completeness [%]	97.6	99.4	94.5
Redundancy	1.89	1.73	1.52

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	277	1M Tris, 5% w/v PGA-LM, 20% w/v PEG 2000 MME, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K