8Y7W

Thymidine Kinase from Staphylococcus aureus(COL strain)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2023-10-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 42 2 2
Unit cell lengths	71.736, 71.736, 95.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.140 - 2.300
R-factor	0.19436
Rwork	0.193
R-free	0.22735
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.912
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	11525	1126
<I/σ(I)>	35.52
Completeness [%]	99.6
Redundancy	21.9
CC(1/2)	0.992	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	1.6M Ammonium Sulfate 0.1M MES 10% V/V 1,4-Dioxane