9B8D

Structure of Legionella pneumophila Ceg10

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	2020-11-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97911
Spacegroup name	C 2 2 21
Unit cell lengths	85.947, 112.322, 55.189
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.920 - 1.720
R-factor	0.2228
Rwork	0.220
R-free	0.25420
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.761
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.740
High resolution limit [Å]	1.710	4.640	1.710
Rmerge	0.053	0.039	0.582
Rmeas	0.058	0.042	0.653
Rpim	0.022	0.016	0.283
Total number of observations	180331
Number of reflections	28293	1592	906
<I/σ(I)>	9.5
Completeness [%]	96.1	99.7	62.6
Redundancy	6.4	7	4.1
CC(1/2)	0.996	0.997	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	1.5 M sodium phosphate monobasic, 0.5 M potassium phosphate dibasic, 10 mM sodium phosphate dibasic/citrate, 25% ethylene glycol