6T4H

Crystal structure of the accessory translocation ATPase, SecA2, from Clostridium difficile, in complex with adenosine-5'-(gamma-thio)-triphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	82.940, 96.840, 114.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.340 - 2.900
R-factor	0.3352
Rwork	0.335
R-free	0.38000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sxh
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	MAIN

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.590	2.590
Rmeas	0.200	1.710
Number of reflections	29038	4484
<I/σ(I)>	7.1
Completeness [%]	99.0
Redundancy	6.32

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	0.1 M BIS-TRIS propane pH 8.3, 0.2 M sodium acetate, 18% w/v PEG3350, 4 mM MgCl2, 2 mM ATP-gamma-S