3SI6

RB69 DNA Polymerase Triple Mutant (L561A/S565G/Y567A) Ternary Complex with dUpNpp and a Deoxy-terminated Primer in the presence of Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	77
Detector technology	CCD
Collection date	2007-08-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	75.458, 120.195, 131.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.314 - 1.850
R-factor	0.18451
Rwork	0.183
R-free	0.21685
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ig9
RMSD bond length	0.004
RMSD bond angle	0.851
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.314	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.124	0.827
Number of reflections	100690
<I/σ(I)>	10.1	1.25
Completeness [%]	98.6	99
Redundancy	3.8	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH VAPOR DIFFUSION	6.5	293.15	150 mM calcium chloride, 1% w/v PEG350 MME, 100 mM sodium cacodylate, pH 6.5, MICROBATCH VAPOR DIFFUSION, temperature 293.15K