5LD1

Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-14
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000010
Spacegroup name	P 43 21 2
Unit cell lengths	168.014, 168.014, 95.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	118.800 - 2.090
R-factor	0.165
Rwork	0.163
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lc9
RMSD bond length	0.010
RMSD bond angle	0.970
Data reduction software	autoPROC (1.0.5)
Data scaling software	Aimless (0.5.15)
Phasing software	MOLREP (11.4.05)
Refinement software	BUSTER-TNT (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	168.010	2.210
High resolution limit [Å]	2.090	2.090
Rmerge	0.260	1.586
Number of reflections	80333
<I/σ(I)>	11.7	2.4
Completeness [%]	100.0	100
Redundancy	18.4	19.2
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	PEG3350, Li2SO4