4DFP

Crystal structure of the large fragment of DNA Polymerase I from Thermus aqauticus in a ternary complex with 7-(aminopentinyl)-7-deaza-dGTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-05-12
Detector	PSI PILATUS 6M
Wavelength(s)	0.900000
Spacegroup name	P 31 2 1
Unit cell lengths	108.448, 108.448, 90.435
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.959 - 2.000
R-factor	0.187
Rwork	0.185
R-free	0.22390
Structure solution method	Difference Fourier Techniques
Starting model (for MR)	3m8s
RMSD bond length	0.009
RMSD bond angle	0.836
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]	46.959	2.120
High resolution limit [Å]	2.000	2.000
Number of reflections	41791
<I/σ(I)>	12.36	1.69
Completeness [%]	99.8	98.9

Crystallization Conditions

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