1JTQ

E. coli TS Complex with dUMP and the Pyrrolo(2,3-d)pyrimidine-based Antifolate LY341770

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	296
Detector technology	IMAGE PLATE
Collection date	1997-04-01
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 63
Unit cell lengths	127.800, 127.800, 68.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.890 - 2.500
R-factor	0.185
Rwork	0.181
R-free	0.21900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2kce
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.570
High resolution limit [Å]	2.500	2.500
Rmerge	0.109	0.385
Number of reflections	21792
<I/σ(I)>	7.4	2.4
Completeness [%]		93
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	296.16	potassium phosphate, MgCl2, DTT, EDTA, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 296.16K