1NJE

THYMIDYLATE SYNTHASE WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP)

Experimental procedure

Detector technology	IMAGE PLATE
Collection date	1993-10-29
Detector	RIGAKU
Spacegroup name	P 61 2 2
Unit cell lengths	78.500, 78.500, 242.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.000 * - 2.300
R-factor	0.213
Rwork	0.213
RMSD bond length	0.010
RMSD bond angle	1.600 *
Data reduction software	R-AXIS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.300
Rmerge	0.100
Total number of observations	39357 *
Number of reflections	14073
Completeness [%]	67.0
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7 *		pH 7.4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.5-6.0 (mg/ml)
2	1	drop	dCMP	2-20 (mM)
3	1	drop	potassium phosphate	40 (mM)
4	1	drop	DTT	1 (mM)
5	1	drop	ammonium sulfate	1-2 (%sat)
6	1	reservoir	phosphate	40 (mM)
7	1	reservoir	DTT
8	1	reservoir	EDTA