1AJM

CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT

Experimental procedure

Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	295
Detector technology	DIFFRACTOMETER
Collection date	1995-12
Detector	ENRAF-NONIUS FAST
Spacegroup name	I 21 3
Unit cell lengths	132.700, 132.700, 132.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.400
Rwork	0.182
RMSD bond length	0.012
RMSD bond angle	19.505 *
Data reduction software	PROCOR
Data scaling software	FBSCALE
Refinement software	TNT (1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.400
Rmerge	0.101 *
Total number of observations	88083 *
Number of reflections	14066
Completeness [%]	92.0
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		drop contained 1:1 mixture of protein and precipitant *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	R126E TS	12 (mg/ml)
2	1	drop	dUMP	3 (mM)
3	1	drop	potassium phosphate	20 (mM)
4	1	drop	dithiothreitol	4 (mM)
5	1	reservoir	ammonium sulfate	2.5 (M)	precipitant
6	1	reservoir	potassium phosphate	20 (mM)	precipitant
7	1	reservoir	dithiothreitol	4 (mM)	precipitant