9EMI

KOD-H4 DNA polymerase mutant in a ternary complex containing six HNA nucleotides and a non-hydrolyzable triphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976250
Spacegroup name	P 21 21 2
Unit cell lengths	111.454, 151.548, 70.406
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.040 - 2.270
R-factor	0.2357
Rwork	0.234
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.641
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((dev_4788: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.809	2.400
High resolution limit [Å]	2.260	2.260
Number of reflections	101092	17452
<I/σ(I)>	7.44
Completeness [%]	93.7
Redundancy	7
CC(1/2)	0.996	0.237

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	10% w/v PEG 8000, 20% v/v ethylene glycol 0.02 M D-glucose, 0.02 M D-mannose, 0.02 M D-galactose, 0.02 M L-fucose, 0.02 M D-xylose, 0.02 M N-acetyl-D-glucosamine , 0.1 M bicine/Trizma base pH 8.5