1BO8

THYMIDYLATE SYNTHASE R178T MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1995-07-15
Detector	SIEMENS
Spacegroup name	P 61 2 2
Unit cell lengths	78.500, 78.500, 241.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.000 - 2.400
R-factor	0.196
Rwork	0.196
R-free	0.24700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1TDM
RMSD bond length	0.006 *
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	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.081	0.620 *
Number of reflections	17212
<I/σ(I)>	15.4	2
Completeness [%]	94.7 *	87.1
Redundancy	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7		pH 7.0

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)