5X8J

K16M mutant of thermus thermophilus HB8 thymidylate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-10-26
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.542
Spacegroup name	P 21 21 21
Unit cell lengths	46.643, 47.180, 152.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.180 - 1.800
R-factor	0.18578
Rwork	0.184
R-free	0.23016
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x7j
RMSD bond length	0.015
RMSD bond angle	1.827
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.180	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.090
Number of reflections	30458
<I/σ(I)>	10.6
Completeness [%]	94.8
Redundancy	6.8
CC(1/2)	0.996

Crystallization Conditions

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