9W2P

ShosT_apo from E. coli KTE181

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	291.15
Detector technology	PIXEL
Collection date	2025-01-01
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97914
Spacegroup name	P 21 21 21
Unit cell lengths	77.230, 115.980, 153.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.566 - 2.020
R-factor	0.1882
Rwork	0.187
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.859
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.570	2.070
High resolution limit [Å]	2.020	2.020
Number of reflections	174065	8956
<I/σ(I)>	19.9	2.4
Completeness [%]	100.0
Redundancy	7
CC(1/2)	1.000	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.02 M Zinc chloride, 20% w/v Polyethylene glycol 3,350. PRPP (Macklin, P8116332-10MG)