6OQQ

Legionella pneumophila SidJ/Saccharomyces cerevisiae calmodulin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97927
Spacegroup name	P 1 21 1
Unit cell lengths	105.490, 104.749, 107.770
Unit cell angles	90.00, 103.97, 90.00

Refinement procedure

Resolution	46.830 - 2.102
R-factor	0.2026
Rwork	0.202
R-free	0.23360
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MLPHARE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.075	0.054	0.814
Rmeas	0.078	0.057	0.901
Rpim	0.021	0.016	0.377
Total number of observations	1496151
Number of reflections	130441	6774	5807
<I/σ(I)>	7.7
Completeness [%]	98.8	99.9	88.8
Redundancy	11.5	13.4	4.8
CC(1/2)		0.998	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.2 M sodium malonate, 0.01 M sodium chloride, 0.001 M magnesium chloride, 0.001 mM calcium chloride, 0.001 M AMP-CPP, 16-17% PEG 3350, 35-40% ethylene glycol