5O6K

Structure of Polyphosphate Kinase from Meiothermus ruber N121D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0332
Spacegroup name	P 43 21 2
Unit cell lengths	166.552, 166.552, 94.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.910 - 2.903
R-factor	0.2611
Rwork	0.260
R-free	0.29230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lc9
RMSD bond length	0.002
RMSD bond angle	0.504
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.910	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.317	1.709
Rpim	0.083	0.447
Number of reflections	30049	4310
<I/σ(I)>	7.5	1.4
Completeness [%]	99.9	99.9
Redundancy	14	14.3
CC(1/2)	0.997	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	100 mM Tris/HCl pH 8.5 27 % (w/v) PEG 3350 200 mM Li2SO4