3TAQ

Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to Duplex DNA with Cytosine-Adenine Mismatch at (n-4) Position

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
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	86.580, 93.600, 106.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.784 - 1.650
R-factor	0.1678
Rwork	0.167
R-free	0.19000
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1l5u
RMSD bond length	0.010
RMSD bond angle	1.243
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	1.750
High resolution limit [Å]	1.650	4.910	1.650
Rmerge	0.046	0.016	0.470
Number of reflections	101635
<I/σ(I)>	21.17	72.97	3.36
Completeness [%]	97.4	89.4	99.5

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