5X8K

V158T mutant of thermus thermophilus HB8 thymidylate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-05-18
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.542
Spacegroup name	P 21 21 21
Unit cell lengths	46.600, 47.300, 151.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.510 - 1.670
R-factor	0.17883
Rwork	0.178
R-free	0.20581
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x7j
RMSD bond length	0.016
RMSD bond angle	1.853
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.510	1.700
High resolution limit [Å]	1.670	1.670
Rmerge	0.059
Number of reflections	39094
<I/σ(I)>	21
Completeness [%]	97.5
Redundancy	7.1
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		295	0.1M Sodium Malonate, 12% PEG 3350