9HS1

Crystal structure of the Escherichia coli nucleosidase PpnN (partial alarmone form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-20
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97623
Spacegroup name	P 43 21 2
Unit cell lengths	152.655, 152.655, 224.541
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.630 - 2.360
R-factor	0.1964
Rwork	0.194
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.952
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.630	2.450
High resolution limit [Å]	2.360	2.360
Rmeas	0.060	1.450
Number of reflections	108735	10721
<I/σ(I)>	13.71	0.66
Completeness [%]	99.9	99.95
Redundancy	2	2
CC(1/2)	0.990	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	7 mg/ml 0.1M NaCl 0.1M BICINE pH 9.0 30% v/v PEG 500 MME