1HZW

CRYSTAL STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-01
Detector	BRANDEIS - B1
Wavelength(s)	1.09
Spacegroup name	P 31 2 1
Unit cell lengths	90.238, 90.238, 143.343
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.205 *
Rwork	0.206
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	rat thymidylate synthase
RMSD bond length	0.006
RMSD bond angle	23.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.080
High resolution limit [Å]	2.000	2.000
Rmerge	0.044	0.232
Completeness [%]	94.7	87.2 *
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	22 *	PEG3350, potassium phosphate, DTT, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	PEG3350	32 (%(w/v))
3	1	reservoir	potassium phosphate	0.1 (M)
4	1	reservoir	dithiothreitol	10 (mM)