3THV

Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to DNA and ddATP-dT in Closed Conformation

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	2009-10-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97121
Spacegroup name	P 21 21 21
Unit cell lengths	93.810, 109.270, 150.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.408 - 1.611
R-factor	0.1947
Rwork	0.193
R-free	0.22440
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2hvi
RMSD bond length	0.010
RMSD bond angle	1.266
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.710
High resolution limit [Å]	1.610	4.830	1.610
Rmerge	0.066	0.033	0.493
Number of reflections	193977
<I/σ(I)>	14.23	37.26	3.58
Completeness [%]	97.2	98.7	91.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	290	45-50% saturated ammonium sulfate, 2.5% MPD, 10 mM magnesium sulfate, 100 mM MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K