9TWC

Legionella monocytogenes SodA wt

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	104.190, 105.580, 162.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.472 - 2.000
Rwork	0.194
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.353
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0326)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.480	67.470	2.030
High resolution limit [Å]	2.000	10.950	2.000
Number of reflections	121479	121479	5956
<I/σ(I)>	10
Completeness [%]	100.0
Redundancy	13.1	11.2	13.3
CC(1/2)	0.997	0.996	0.443

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M MES/imidazole pH 6.5, 10% w/v PEG 20000, 20% v/v PEG MME 550, 0.02 M of each additive alcohol: 1,6-hexanediol, 1-butanol, (RS)-1,2-propanediol, 2-propanol, 1,4-butanediol, 1,3-propanediol