9TWA

Legionella monocytogenes SodA mutant GL to VI

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	51.990, 93.380, 94.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.435 - 1.400
Rwork	0.176
R-free	0.19130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.778
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]	51.990	51.990	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.070
Rmeas	0.076
Rpim	0.029
Number of reflections	91660	91660	4487
<I/σ(I)>	16.7
Completeness [%]	100.0
Redundancy	13.2	12.1	9.4
CC(1/2)	1.000	1.000	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M Ammonium sulfate, 30 % w/v PEG 8000