1H5R

Thymidylyltransferase complexed with Thimidine and Glucose-1-phospate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Collection date	2000-06-15
Spacegroup name	P 1 21 1
Unit cell lengths	72.810, 118.960, 80.590
Unit cell angles	90.00, 112.60, 90.00

Refinement procedure

Resolution	12.000 - 1.900
R-factor	0.173 *
Rwork	0.173
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018 *
RMSD bond angle	1.945 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.900
Rmerge	0.034
Total number of observations	586259 *
Number of reflections	99207
<I/σ(I)>	19.3
Completeness [%]	85.4
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.3 *		pH 5.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop	deoxythymidine	5 (mM)
3	1	drop	G1P	5 (mM)
4	1	reservoir	ammonium sulfate	1.7 (M)
5	1	reservoir	sodium acetate	0.1 (M)	pH5.3