3S9H

RB69 DNA Polymerase Triple Mutant(L561A/S565G/Y567A) ternary complex with dUpNpp and a dideoxy-terminated primer in the presence of Ca2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	77
Detector technology	CCD
Collection date	2007-07-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.21448
Spacegroup name	P 21 21 21
Unit cell lengths	75.050, 119.821, 130.791
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.630 - 1.950
R-factor	0.1727
Rwork	0.171
R-free	0.21302
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ig9
RMSD bond length	0.004
RMSD bond angle	0.868
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]	100.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.093	0.719
Number of reflections	83597
<I/σ(I)>	12.73	0.934
Completeness [%]	94.3	57.9
Redundancy	3.3	1.5

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