4NH0

Cytoplasmic domain of the Thermomonospora curvata Type VII Secretion ATPase EccC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9796
Spacegroup name	C 1 2 1
Unit cell lengths	251.816, 116.316, 174.110
Unit cell angles	90.00, 102.70, 90.00

Refinement procedure

Resolution	48.930 - 2.900
R-factor	0.2265
Rwork	0.226
R-free	0.24610
Structure solution method	MIR
RMSD bond length	0.004
RMSD bond angle	0.815
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.930	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	108032
<I/σ(I)>		0.58
Completeness [%]		98.72
Redundancy	6.9	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	EccCTc(199-1315) was concentrated to 14 mg/ml and adjusted 10 mM ATP from a 100 mM stock (Roche). The protein was mixed with a 1:1 volume of 0.1 M Tris pH 8.0, 0.6-1.1 M (NH4)2SO4, 0.1 M glycine, 0.020 mM MgCl2, 0.1 M NaCl,, equilibrated in a vapor diffusion experiment at 20 C over 500 mL of the mother liquor., VAPOR DIFFUSION, HANGING DROP, temperature 298K