4DS4

Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and rCTP in presence of Mn2+

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	2011-01-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1158
Spacegroup name	P 21 21 21
Unit cell lengths	93.790, 108.770, 150.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.252 - 1.681
R-factor	0.175
Rwork	0.174
R-free	0.19860
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2hvi
RMSD bond length	0.011
RMSD bond angle	1.342
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	1.780
High resolution limit [Å]	1.680	5.010	1.680
Rmerge	0.067	0.039	0.480
Number of reflections	159378
<I/σ(I)>	21.41	49.34	3.95
Completeness [%]	90.9	99.7	94.4
Redundancy	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	290	50% Saturated Ammonium Sulfate, 2.5% MPD, 10mM MnSO4, 100mM MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K