5X1E

Structure of DotL(656-783)-IcmS-IcmW derived from Legionella pneumophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-14
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	67.597, 75.803, 150.637
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.756 - 1.999
R-factor	0.2231
Rwork	0.221
R-free	0.26900
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.972
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.100	0.074	0.289
Total number of observations	262793
Number of reflections	97546
<I/σ(I)>	16.7
Completeness [%]	92.0	98.9	85.5
Redundancy	5.4	7.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	25%(v/v) PEG550 monoethylether, 100mM MES (pH 6.5), 10mM zinc sulfate and 5mM spermine tetrahydrochloride