9EN0

KOD-H4 DNA polymerase mutant in a unproductive binary complex with DNA:DNA containing six HNA nucleotides

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	2023-06-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000020
Spacegroup name	P 1 21 1
Unit cell lengths	69.081, 112.312, 77.971
Unit cell angles	90.00, 108.50, 90.00

Refinement procedure

Resolution	44.720 - 2.510
R-factor	0.2278
Rwork	0.226
R-free	0.28550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.656
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.720	2.450
High resolution limit [Å]	2.310	2.310
Number of reflections	95106	15434
<I/σ(I)>	3.48
Completeness [%]	97.0	97
Redundancy	1.82
CC(1/2)	0.989	0.104

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	10% w/v PEG 4000, 20% v/v glycerol, 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 MES/imidazole pH 6.5