9UV0

Crystal structure of Thoeris protein ThsB

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	2020-07-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	64.911, 107.169, 57.662
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.460 - 1.580
R-factor	0.1704
Rwork	0.169
R-free	0.19110
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.824
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.460	1.640
High resolution limit [Å]	1.580	1.580
Number of reflections	26650	2586
<I/σ(I)>	21.52
Completeness [%]	95.5
Redundancy	6.8
CC(1/2)	0.983	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 8000, Tris, Potassium chloride