6VWP

Crystal structure of E. coli guanosine kinase in complex with ppGpp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	245.949, 245.949, 221.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.160 - 3.450
R-factor	0.2008
Rwork	0.200
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vwo
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	3.510
High resolution limit [Å]	3.420	9.360	3.450
Rmerge	0.117	0.047	1.750
Rmeas	0.121	0.048	1.810
Rpim	0.029	0.012	0.461
Number of reflections	103948	5402	5193
<I/σ(I)>	5.7
Completeness [%]	99.8	98.5	100
Redundancy	16.7	15.9	15.3
CC(1/2)		0.999	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M sodium acetate pH 4.8, 3.1M sodium formate