4DQP

Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and ddCTP (paired with dG of template)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Detector technology	CCD
Collection date	2008-12-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	94.220, 109.340, 149.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.448 - 1.740
R-factor	0.1679
Rwork	0.167
R-free	0.19520
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2hvi
RMSD bond length	0.012
RMSD bond angle	1.395
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (dev_1026)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.840
High resolution limit [Å]	1.740	5.180	1.740
Rmerge	0.077	0.047	0.490
Number of reflections	142490
<I/σ(I)>	15.07	30.79	4.36
Completeness [%]	89.8	98.9	100
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	290	45%-53% Saturated Ammonium Sulfate, 2.5% MPD, 10mM MgSO4, 100mM MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K