6PC3

Crystal structure of Helicobacter pylori PPX/GppA in complex with GSP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-15
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	114.312, 90.856, 105.238
Unit cell angles	90.00, 106.74, 90.00

Refinement procedure

Resolution	45.428 - 2.100
R-factor	0.1801
Rwork	0.179
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hi0
RMSD bond length	0.010
RMSD bond angle	1.242
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((dev_3352: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rpim	0.061
Number of reflections	60029	5951
<I/σ(I)>	11.8	1.6
Completeness [%]	99.9
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 3350, 0.2 M Potassium chloride