9UUZ

Crystal structure of Thoeris protein ThsA

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	2019-12-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	63.738, 89.232, 87.631
Unit cell angles	90.00, 93.01, 90.00

Refinement procedure

Resolution	39.290 - 2.590
R-factor	0.1847
Rwork	0.181
R-free	0.23100
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.703
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]	39.290	2.680
High resolution limit [Å]	2.590	2.590
Number of reflections	30217	2709
<I/σ(I)>	24.9
Completeness [%]	98.8
Redundancy	9.2
CC(1/2)	0.992	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, BIS-TRIS, Ammonium acetate