8WCF

Crystal structure of EcThsB

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	2021-11-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	51.963, 55.712, 58.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.860 - 1.300
R-factor	0.1365
Rwork	0.136
R-free	0.16580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.000
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	1.380
High resolution limit [Å]	1.299	1.299
Number of reflections	42082	6321
<I/σ(I)>	19.58
Completeness [%]	99.0
Redundancy	12
CC(1/2)	0.990	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	10% (w/v) glycerol, 0.1 M Hepes pH 7.0, and 30% (w/v) PEG6000.