5X8D

D90L mutant of thermus thermophilus HB8 thymidylate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-10-25
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	46.800, 47.320, 153.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.640 - 2.260
R-factor	0.2203
Rwork	0.218
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x7j
RMSD bond length	0.007
RMSD bond angle	1.292
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]	76.640	2.330
High resolution limit [Å]	2.260	2.260
Number of reflections	15291
<I/σ(I)>	9.3
Completeness [%]	91.9
Redundancy	7.9

Crystallization Conditions

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