8WC0

Crystal structure of EcThsA

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	2022-01-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 42 21 2
Unit cell lengths	250.640, 250.640, 50.701
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.186 - 2.249
R-factor	0.1889
Rwork	0.188
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.573
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.249	2.249
Number of reflections	77431	3833
<I/σ(I)>	23.3
Completeness [%]	99.9
Redundancy	24.4
CC(1/2)	0.998	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-Tris Propane pH 8.0, 0.2 M Na2SO4, and 15% (w/v) PEG3350