9WD2

Thymidylate kinase of Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-29
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.918
Spacegroup name	P 43 21 2
Unit cell lengths	93.882, 93.882, 212.064
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.440 - 2.500
Rwork	0.215
R-free	0.28020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.382
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	2.980
High resolution limit [Å]	2.449	2.449
Number of reflections	35800	27210
<I/σ(I)>	1.1
Completeness [%]	100.0
Redundancy	25.1
CC(1/2)	0.990	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	60% v/v Tacsimate pH 7.0