3TMS

PLASTIC ADAPTATION TOWARD MUTATIONS IN PROTEINS: STRUCTURAL COMPARISON OF THYMIDYLATE SYNTHASES

Experimental procedure

Spacegroup name	I 21 3
Unit cell lengths	133.000, 133.000, 133.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.100
R-factor	0.22 *
Rwork	0.220
RMSD bond length	0.018
RMSD bond angle	3.550
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	9999.000 *
High resolution limit [Å]	2.080 *
Rmerge	0.072 *
Total number of observations	66941 *
Number of reflections	22275 *
Completeness [%]	92.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	thymidylate synthases	2.5 (mg/ml)
2	1	drop	EDTA	0.2 (mM)
3	1	drop	dithiothreitol	1 (mM)
4	1	drop	potassium phosphate	20 (mM)
5	1	drop	ammonium sulfate	1.15 (mM)
6	1	reservoir	ammonium sulfate	2.3 (M)
7	1	reservoir	EDTA	0.2 (mM)
8	1	reservoir	dithiothreitol	1 (mM)
9	1	reservoir	potassium phisphate	20 (mM)