7ZHL

Salmonella enterica Rhs1 C-terminal toxin TreTu

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.27819
Spacegroup name	P 21 21 21
Unit cell lengths	51.546, 66.366, 67.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.012 - 2.200
R-factor	0.1935
Rwork	0.192
R-free	0.22580
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.221
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	AutoSol
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.392	41.012	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.087	1.433
Rmeas	0.212	0.093	1.461
Rpim	0.035	0.016	0.235
Total number of observations		14886	65224
Number of reflections	12221	457	1721
<I/σ(I)>	15.3	32.9	5.7
Completeness [%]	99.3	99.6	98.7
Redundancy	36.8	32.6	37.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Zinc acetate dihydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 18% w/v Polyethylene glycol 8,000