5NKL

Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with the artificial base pair dDs-dPxTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	108.777, 108.777, 90.571
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.102 - 1.700
R-factor	0.1835
Rwork	0.181
R-free	0.23680
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3rtv
RMSD bond length	0.011
RMSD bond angle	1.198
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2650: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.113	1.800
High resolution limit [Å]	1.700	1.700
Rpim	0.115	3.519
Number of reflections	130009	20629
<I/σ(I)>	8.38	0.47
Completeness [%]	98.4	96.7
Redundancy	5.2	5
CC(1/2)	0.998	0.147

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	100mM TRIS pH 8.5, 0.2M Sodium acetate, 30% PEG 4000