1TYS

WATER-MEDIATED SUBSTRATE(SLASH)PRODUCT DISCRIMINATION: THE PRODUCT COMPLEX OF THYMIDYLATE SYNTHASE AT 1.83 ANGSTROMS

Experimental procedure

Spacegroup name	P 31 2 1
Unit cell lengths	71.970, 71.970, 115.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.000 - 1.800
R-factor	0.183
Rwork	0.183
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9999.000 *
High resolution limit [Å]	1.800	1.800 *
Rmerge	0.094 *	0.312 *
Number of reflections	30830	3117 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	23 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		20 (mM)
10	1	reservoir		20 (M)
2	1	drop	TS C198(146)S	1.5 (mg/mL)
3	1	drop	H2folate	1.9 (mM)
4	1	drop	dTMP	5.8 (mM)
5	1	drop		3.8 (mM)
6	1	drop	dithiothreitol	3.8 (mM)
7	1	drop	disodium ethylenediaminetetraacetic acid	0.05 (mM)
8	1	drop		1.25 (M)
9	1	reservoir		2.5 (M)