5LLF

Structure of Polyphosphate Kinase 2 mutant D117N from Francisella tularensis with polyphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	C 2 2 21
Unit cell lengths	73.440, 165.940, 255.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.500 - 2.310
R-factor	0.2002
Rwork	0.198
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yeg
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	69.570
High resolution limit [Å]	2.310
Rmerge	0.103
Number of reflections	68434
<I/σ(I)>	13
Completeness [%]	99.7
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	32.5 % MPD/PEG100/PEG3350, 0.1 M Bicine/Trizma base pH 8.5, 0.09 M NPS, 0.5 mM polyP, 2.5 mM AMPPCH2P