6RAD

Salmonella ATPase InvC with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	P 65
Unit cell lengths	107.449, 107.449, 73.511
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.375 - 2.796
R-factor	0.2134
Rwork	0.211
R-free	0.25710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.644
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.400	2.896
High resolution limit [Å]	2.796	2.796
Rmerge	0.086	0.804
Rmeas	0.092	0.864
Number of reflections	11871	11871
<I/σ(I)>	13.17
Completeness [%]	97.8
Redundancy	6.8
CC(1/2)	0.999	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	1.6 M magnesium sulfate, 0.1 M MES pH 6.5 and 30 % (v/v) Glycerol