2TMK

YEAST THYMIDYLATE KINASE COMPLEXED WITH 3'-AZIDO-3'-DEOXYTHYMIDINE MONOPHOSPHATE (AZT-MP)

Experimental procedure

Source details	ENRAF-NONIUS
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1996-10
Detector	MACSCIENCE
Spacegroup name	P 1 21 1
Unit cell lengths	37.420, 144.200, 49.720
Unit cell angles	90.00, 110.90, 90.00

Refinement procedure

Resolution	10.000 - 2.400
R-factor	0.182
Rwork	0.182
R-free	0.25300
Structure solution method	ISOMORPHOUS WITH 1TMP
Starting model (for MR)	1tmk
RMSD bond length	0.008
RMSD bond angle	21.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.083 *	0.268 *
Total number of observations	43762 *
Number of reflections	17930
<I/σ(I)>	10	4
Completeness [%]	93.3	89.4
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		22% PEG 5000 MME 100 MM HEPES PH 7.5 200 MM AMMONIUM SULFATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	dTDP	2 (mM)
3	1	reservoir	PEG4000	19 (%)
4	1	reservoir		25 (mM)
5	1	reservoir	HEPES	100 (mM)