5X99

T18V 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	2016-05-27
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.542
Spacegroup name	P 21 21 21
Unit cell lengths	46.926, 47.559, 152.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 1.730
R-factor	0.18053
Rwork	0.178
R-free	0.22651
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x7j
RMSD bond length	0.019
RMSD bond angle	1.968
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	1.760
High resolution limit [Å]	1.730	1.730
Number of reflections	33344
<I/σ(I)>	22.7
Completeness [%]	90.8
Redundancy	6.6

Crystallization Conditions

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