5TMP

COMPLEX OF E. COLI THYMIDYLATE KINASE WITH THE BISUBSTRATE INHIBITOR AZTP5A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	277
Collection date	1997-11-01
Detector	SIEMENS HI-STAR
Spacegroup name	H 3 2
Unit cell lengths	152.100, 152.100, 75.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.350 - 1.980
R-factor	0.204
Rwork	0.204
R-free	0.25300
Structure solution method	OTHER
RMSD bond length	0.013
RMSD bond angle	22.630 *
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.830
High resolution limit [Å]	2.200
Rmerge	0.065	0.248 *
Total number of observations	56386 *
Number of reflections	15949
Completeness [%]	90.4	80 *
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8	20 *	pH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	12 (mg/ml)
2	1	drop	nucleotide	2 (mM)
3	1	drop	ammonium phosphate	1.25 (M)
4	1	reservoir	ammonium phosphate	2.5 (M)