9YD2

Ternary complex of DNA polymerase I from Bacillus stearothermophilus, large fragment, bound to DNA containing a thymine dimer and dATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 31 2 1
Unit cell lengths	92.140, 92.140, 189.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	79.796 - 2.249
Rwork	0.225
R-free	0.28530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.948
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.800	2.310
High resolution limit [Å]	2.249	2.249
Rmeas	0.063	1.000
Number of reflections	44763	3028
<I/σ(I)>	21.64	1.42
Completeness [%]	99.3	92.4
Redundancy	6.9	4.6
CC(1/2)	0.999	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	46% (v/v) saturated ammonium sulfate, 10 mM manganese sulfate (MnSO4), 100 mM 2-(N-morpholino)ethanesulfonic acid (MES), 5% 2-methyl-1,3-propanediol (MPD), 1 mM 2',3'-dideoxyguanosine triphosphate, 5 mM 2'-deoxyadenosine triphosphate