8S84

KOD-H4 DNA polymerase mutant in a ternary complex with DNA/DNA and non-hydrolyzable triphosphate

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	2023-10-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 2
Unit cell lengths	110.970, 152.462, 70.125
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.580 - 2.350
R-factor	0.2383
Rwork	0.237
R-free	0.27550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.628
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]	46.796	2.490
High resolution limit [Å]	2.350	2.350
Number of reflections	95588	15411
<I/σ(I)>	3.75
Completeness [%]	99.4
Redundancy	3
CC(1/2)	0.985	0.100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	Morpheus II condition A1: 36 % v/v of a 72% mix: 30% w/v PEG 3000, 40% v/v 1, 2, 4-Butanetriol, 2% w/v NDSB 256; 0.03 M Lithium sulfate, 0.03 M Sodium sulfate, 0.03 Potassium sulfate, 0.1 M MOPSO/Bis-Tris pH 6.5