3TAN

Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to Duplex DNA with Cytosine-Adenine Mismatch at (n-1) Position

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1110
Spacegroup name	P 21 21 21
Unit cell lengths	87.430, 93.010, 105.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.058 - 1.530
R-factor	0.1704
Rwork	0.170
R-free	0.18450
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1l3t
RMSD bond length	0.011
RMSD bond angle	1.358
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	1.620
High resolution limit [Å]	1.530	4.560	1.530
Rmerge	0.033	0.015	0.480
Number of reflections	127023
<I/σ(I)>	26.2	77.9	4.1
Completeness [%]	97.9	85.5	99.6

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