5EQV

1.45 Angstrom Crystal Structure of Bifunctional 2',3'-cyclic Nucleotide 2'-phosphodiesterase/3'-Nucleotidase Periplasmic Precursor Protein from Yersinia pestis with Phosphate bound to the Active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 43 21 2
Unit cell lengths	107.282, 107.282, 63.357
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.910 - 1.450
R-factor	0.13301
Rwork	0.132
R-free	0.15302
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB3JYF
RMSD bond length	0.010
RMSD bond angle	1.477
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.054	0.545
Number of reflections	65853
<I/σ(I)>	42.6	5.3
Completeness [%]	100.0	100
Redundancy	12.6	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	Protein: 8.6 mg/ml, 0.01M Tris-HCL (pH 8.3), 5mM Thymidine; Screen: Classics II (F11), 0.2M Sodium chloride, 0.1M Bis-Tris (pH 6.5), 25% (w/v) PEG 3350;