9TW9

Legionella monocytogenes SodA wt

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.89842
Spacegroup name	P 21 21 21
Unit cell lengths	52.720, 94.090, 94.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.260 - 1.650
Rwork	0.215
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.011
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]	52.720	52.720	1.680
High resolution limit [Å]	1.650	9.040	1.650
Number of reflections	57150	57150	2727
<I/σ(I)>	7
Completeness [%]	99.7
Redundancy	11.4	11.4	10.5
CC(1/2)	0.971	0.957	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M Ammonium chloride, 0.1 M Sodium acetate pH 5.0, 20% w/v PEG 6000