6J61

Crystal Structure of Thymidylate Synthase, Thy1, from Thermus thermophilus having an Extra C Terminal Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-06
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	144.027, 68.362, 134.083
Unit cell angles	90.00, 115.12, 90.00

Refinement procedure

Resolution	49.370 - 2.500
R-factor	0.223
Rwork	0.223
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o2b
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	HKL-2000 (1.97.9)
Data scaling software	HKL-2000 (1.97.7)
Phasing software	AMoRE
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.065	0.425
Number of reflections	79925	7835
<I/σ(I)>	16.97	1.77
Completeness [%]	99.7	98.4
Redundancy	3.7	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	50% 2-Ethoxyethanol, 0.1 M Na/K Phosphate (pH6.2)