3SJJ

RB69 DNA Polymerase Triple Mutant (L561A/S565G/Y567A) Ternary Complex with dUpNpp and a Deoxy-terminated Primer in the presence of Mn2+

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	2007-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	78.560, 118.217, 130.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.250 - 2.380
R-factor	0.20482
Rwork	0.202
R-free	0.26543
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ig9
RMSD bond length	0.007
RMSD bond angle	1.121
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]	50.000	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.123	0.778
Number of reflections	45847
<I/σ(I)>	10	1
Completeness [%]	89.4	77.9
Redundancy	4.1	2.3

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