9EMF

KOD-H4 DNA polymerase mutant in a binary complex with DNA:DNA containing one HNA nucleotide

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 21 21 2
Unit cell lengths	111.091, 148.602, 66.639
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.300 - 3.000
R-factor	0.236
Rwork	0.234
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.545
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]	49.534	2.870
High resolution limit [Å]	2.700	2.700
Number of reflections	58227	9378
<I/σ(I)>	3.66
Completeness [%]	99.9	99.9
Redundancy	4.35
CC(1/2)	0.991	0.106

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	12.5 % (w/v) PEG 4K, 20 % (v/v) 1,2,6-hexanetriol, 0.02 M DL-arginine-HCl- 0.02 M DL-threonine, 0.02 M D-sorbitol, 0.02 DL-histidine-HCl*H2O, 0.02 M DL-5-hydroxylysine-HCl, 0.02 M trans-4-hydroxy-L-proline, 0.1 M MOPSO/bis-tris pH 6.5