9B8E

Structure of S-nitrosylated 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	P 21 21 2
Unit cell lengths	103.416, 115.836, 40.878
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.220 - 1.400
R-factor	0.1649
Rwork	0.165
R-free	0.18360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.907
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	1.420
High resolution limit [Å]	1.400	3.800	1.400
Rmerge	0.058	0.033	0.887
Rmeas	0.061	0.035	0.944
Rpim	0.020	0.011	0.319
Number of reflections	97458	5214	4828
<I/σ(I)>	8.1
Completeness [%]	99.8	99.2	99.9
Redundancy	8.9	8.8	8.4
CC(1/2)	1.000	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	20% PEG 1,000, 0.1 M Tris, 25% ethylene glycol