9EMH

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976260
Spacegroup name	P 21 21 2
Unit cell lengths	111.481, 151.624, 67.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.030 - 2.700
R-factor	0.2272
Rwork	0.226
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.504
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]	46.030	2.440
High resolution limit [Å]	2.300	2.300
Number of reflections	98077	15751
<I/σ(I)>	3.94
Completeness [%]	99.6
Redundancy	3.57
CC(1/2)	0.992	0.119

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	10% w/v PEG 4000, 20% v/v glycerol 0.03 M diethyleneglycol, 0.03 M triethyleneglycol, 0.03 M tetraethyleneglycol, 0.03 M pentaethyleneglycol ethylene glycol, 0.1 M MES/imidazole pH 6.5