9LHW

Crystal structure of a wild-type tagose isomerase (TsT4Ease WT) from Thermotogota bacterium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979183
Spacegroup name	P 1 21 1
Unit cell lengths	102.860, 108.212, 138.775
Unit cell angles	90.00, 108.05, 90.00

Refinement procedure

Resolution	48.950 - 2.550
R-factor	0.23049
Rwork	0.229
R-free	0.26695
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.948
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.950	2.620
High resolution limit [Å]	2.550	2.550
Number of reflections	94037	6917
<I/σ(I)>	23.2
Completeness [%]	99.3
Redundancy	11.1
CC(1/2)	0.979	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.1 M Tris pH 8.5, 0.2 M Lithium sulfate monohydrate, 25% PEG 3350