4DF8

Crystal structure of the large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with aminopentinyl-7-deaza-2-dATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.23000
Spacegroup name	P 31 2 1
Unit cell lengths	108.609, 108.609, 90.516
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.029 - 2.000
R-factor	0.1966
Rwork	0.195
R-free	0.23390
Structure solution method	Difference Fourier Techniques
Starting model (for MR)	3m8s
RMSD bond length	0.014
RMSD bond angle	0.993
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.7.3_928)
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.030	2.120
High resolution limit [Å]	2.000	2.000
<I/σ(I)>	14.43	1.78
Completeness [%]	99.9	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	18% PEG 8000, 200mM Mg-Formate, 100 mMTris pH 8.0 , VAPOR DIFFUSION, HANGING DROP, temperature 291K