4DQS

Binary complex of Bacillus DNA Polymerase I Large Fragment and duplex DNA with rC in primer terminus paired with dG of template

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Detector technology	CCD
Collection date	2009-03-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1158
Spacegroup name	P 21 21 21
Unit cell lengths	88.410, 93.410, 105.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.382 - 1.660
R-factor	0.1614
Rwork	0.160
R-free	0.18080
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1l5u
RMSD bond length	0.010
RMSD bond angle	1.291
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]	100.000	100.000	1.760
High resolution limit [Å]	1.660	4.950	1.660
Rmerge	0.041	0.017	0.489
Number of reflections	103591
<I/σ(I)>	22.18	63.57	3.34
Completeness [%]	99.8	97.9	99.9
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	290	44%-49% Saturated Ammonium Sulfate, 2.5% MPD, 10mM MnSO4, 100mM MES (pH 5.8), VAPOR DIFFUSION, HANGING DROP, temperature 290K