6Q4T

KOD DNA pol in a closed ternary complex with 7-deaza-7-(2-(2-hydroxyethoxy)-N-(prop-2-yn-1-yl)acetamide)-2-dATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	107.940, 146.424, 71.477
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.219 - 1.997
R-factor	0.2037
Rwork	0.202
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5omf
RMSD bond length	0.004
RMSD bond angle	0.701
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((dev_3283: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.808	2.007
High resolution limit [Å]	1.997	1.997
Rmeas	0.189	2.542
Number of reflections	138630	16466
<I/σ(I)>	5.6	0.35
Completeness [%]	93.3	68.5
Redundancy	3.38	2.43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.09M sodium nitrate, 0.09 sodium phosphate dibasic, 0.09M ammonium sulfate, 0.1 M Tris base, 0.1 M BICINE, 12.5 % MPD, 12.5 % PEG 1000, 12.5 % PEG 3350