3TAR

Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to Duplex DNA with Cytosine-Adenine Mismatch at (n-6) Position

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-29
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	87.750, 93.840, 105.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.295 - 1.600
R-factor	0.1785
Rwork	0.178
R-free	0.19230
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1l3v
RMSD bond length	0.010
RMSD bond angle	1.290
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]	50.000	50.000	1.700
High resolution limit [Å]	1.600	4.770	1.600
Rmerge	0.043	0.028	0.497
Number of reflections	115264
<I/σ(I)>	22.16	53.21	3.77
Completeness [%]	99.8	98.9	99.2

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