4F3V

Crystal structure of N-terminal domain of EccA1 ATPase from ESX-1 secretion system of Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	73.230, 92.510, 105.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.1757
Rwork	0.174
R-free	0.21070
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.286
Data scaling software	XSCALE
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.791	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.089	0.024	0.793
Number of reflections	49283	1022	6843
<I/σ(I)>	10.63	37.42	1.55
Completeness [%]	99.6	96.9	97.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	295	0.1M SODIUM CITRATE PH 5.6, 1.0M LITHIUM SULFATE, 0.5M AMMONIUM SULFATE, vapor diffusion, sitting drop, temperature 295K