6RAE

Structural analysis of the Salmonella type III secretion system ATPase InvC

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	106.292, 106.292, 73.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	92.050 - 2.049
R-factor	0.1664
Rwork	0.164
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5swj
RMSD bond length	0.006
RMSD bond angle	0.797
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]	92.050	2.122
High resolution limit [Å]	2.049	2.049
Rmerge	0.102	1.091
Rmeas	0.109	1.167
Number of reflections	29753	2925
<I/σ(I)>	11.35
Completeness [%]	99.9
Redundancy	7.9
CC(1/2)	0.996	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.8 M succinic acid pH 7.0 and 30 % (v/v) glycerol