9LHY

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

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	2024-04-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	65.561, 83.278, 110.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.490 - 2.460
R-factor	0.2442
Rwork	0.243
R-free	0.26960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.787
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.490	2.590
High resolution limit [Å]	2.460	2.460
Number of reflections	21070	3250
<I/σ(I)>	7.5
Completeness [%]	92.7
Redundancy	14.7	8.6
CC(1/2)	0.979	0.310

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