5X98

Y162F 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	2016-05-16
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.542
Spacegroup name	P 21 21 21
Unit cell lengths	46.100, 47.100, 151.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.810 - 1.760
R-factor	0.18322
Rwork	0.181
R-free	0.22785
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x7j
RMSD bond length	0.018
RMSD bond angle	1.981
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]	37.810	1.790
High resolution limit [Å]	1.760	1.760
Rmerge	0.099
Number of reflections	33617
<I/σ(I)>	11.3
Completeness [%]	100.0
Redundancy	7.6
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		295	0.1M Magnesium formate dehydrate, 20% PEG 3350