6DZG

Crystal structure of polyphosphate kinase 2 class I (SMc02148) in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	59.976, 70.563, 89.520
Unit cell angles	75.63, 85.96, 64.72

Refinement procedure

Resolution	34.321 - 1.870
R-factor	0.1778
Rwork	0.177
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3czq
RMSD bond length	0.006
RMSD bond angle	0.820
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.980
High resolution limit [Å]	1.870	1.870
Rmerge	0.038	0.470
Rmeas	0.048	0.600
Number of reflections	98873	12622
<I/σ(I)>	14.14	1.93
Completeness [%]	92.7	73.5
Redundancy	2.54	2.24
CC(1/2)	1.000	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M Tris (pH 7.5), 0.12 M Na-formate, 0.12 M Li-sulfate, and 0.4 M NDSB 211