1BPJ

THYMIDYLATE SYNTHASE R178T, R179T DOUBLE MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1995-07-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 61 2 2
Unit cell lengths	78.800, 78.800, 243.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.000 - 2.500 *
R-factor	0.2 *
Rwork	0.190
R-free	0.26700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1TDM
RMSD bond length	0.007 *
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.089	0.700
Number of reflections	15561
<I/σ(I)>	12.6	1.8
Completeness [%]	95.5	90.1
Redundancy	3.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7		Finer-Moore, J.S., (1993) J.Mol.Biol., 232, 1101. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	potassium phosphate	20 (mM)
3	1	reservoir	potassium phosphate	20 (mM)
4	1	reservoir	ammonium sulfate	20 (mM)
5	1	reservoir	dUMP	38 (mM)