4DFM

Crystal structure of the large fragment of DNA polymerase I from Thermus aquaticus in ternary complex with 5-(aminopentinyl)-2-dCTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.99987
Spacegroup name	P 31 2 1
Unit cell lengths	108.260, 108.260, 90.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.878 - 1.886
R-factor	0.1875
Rwork	0.186
R-free	0.21620
Structure solution method	Difference Fourier Techniques
Starting model (for MR)	3m8s
RMSD bond length	0.008
RMSD bond angle	0.992
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]	47.150	1.940
High resolution limit [Å]	1.886	1.890
Number of reflections	48761
<I/σ(I)>	12.77	1.83
Completeness [%]	98.6	82

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