1KI4

CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOTHIENYLDEOXYURIDINE

Experimental procedure

Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1996-08
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 2 2 21
Unit cell lengths	114.100, 116.000, 108.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.340
R-factor	0.21
Rwork	0.210
R-free	0.30900
Structure solution method	MIR + NCS IMPROVEMENT AND SOLVENT FLATTENING FOR ORIGINAL NATIVE, 1KIN
RMSD bond length	0.013
RMSD bond angle	22.770 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLOMON
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.520
High resolution limit [Å]	2.340	2.340
Rmerge	0.144 *
Number of reflections	29537
<I/σ(I)>		4.5
Completeness [%]	100.0	100
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	25 *	drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	1.0 (mg/ml)
2	1	drop	Tris-Cl	40 (mM)
3	1	drop	dithiothreitol	3 (mM)
4	1	drop	deoxythymidine	0.2 (mM)
5	1	reservoir	ammonium sulfate	30 (%sat)
6	1	reservoir	Tris-Cl	200 (mM)
7	1	reservoir	dithiothreitol	3 (mM)
8	1	reservoir	deoxythymidine	0.2 (mM)