5ZAX

Crystal structure of thymidylate kinase in complex with ADP, TDP and TMP from thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-07-26
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	47.408, 47.658, 152.329
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.540 - 2.360
R-factor	0.2488
Rwork	0.245
R-free	0.32390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x7j
RMSD bond length	0.008
RMSD bond angle	1.349
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.540	2.460
High resolution limit [Å]	2.360	2.360
Rmerge	0.135	0.453
Number of reflections	14849
<I/σ(I)>	10.5
Completeness [%]	99.7
Redundancy	7
CC(1/2)	0.995	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		295	0.2M MgCl2.6H2O, 0.1M Tris hydrochloride, 30% PEG 4000