6SDX

Salmonella ATPase InvC with ATP gamma S

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	2019-07-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	P 65
Unit cell lengths	107.898, 107.898, 73.847
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.949 - 2.645
R-factor	0.1881
Rwork	0.186
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5swj
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.710
High resolution limit [Å]	2.645	2.645
Rmerge	0.100	1.596
Rmeas	0.106	1.694
Number of reflections	14402	1041
<I/σ(I)>	16.58
Completeness [%]	99.8
Redundancy	10
CC(1/2)	1.000	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.15	3M sodium chloride pH 7.5 and 0.1 M Tris