4MU6

Crystal Structure of the N-terminal domain of Effector Protein LegC3 from Legionella pneumophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Detector technology	CCD
Wavelength(s)	0.97887
Spacegroup name	P 21 21 2
Unit cell lengths	108.874, 150.246, 24.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.499 - 2.082
R-factor	0.2133
Rwork	0.207
R-free	0.27530
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.985
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.080	4.520	2.080
Rmerge	0.144	0.070	0.932
Number of reflections	23598
<I/σ(I)>	7.2
Completeness [%]	94.9	99.2	84.9
Redundancy	11.3	13.1	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	20% PEG3300, 0.1MTris-HCl pH8.5, 0.2M tri-potassium citrate, 30mM Di-ammonium hydrogen phosphate, vapor diffusion, hanging drop, temperature 295K