8ZVA

structure of ShosA from E.coli APEC O1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 43 21 2
Unit cell lengths	70.029, 70.029, 120.323
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.520 - 1.900
R-factor	0.2479
Rwork	0.247
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.617
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.900	1.900
Number of reflections	24225	3239
<I/σ(I)>	21
Completeness [%]	94.7
Redundancy	20
CC(1/2)	1.000	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	18% PEG 2000,0.1M imidazole pH 7.0, 0.2M Ammonia citrate pH7.0