8S87

KOD-H4 DNA polymerase mutant - apo structure

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	2023-04-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	74.424, 110.629, 111.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.400 - 1.820
R-factor	0.2309
Rwork	0.230
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.128
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]	44.580	1.910
High resolution limit [Å]	1.800	1.800
Number of reflections	165421	26725
<I/σ(I)>	3.84
Completeness [%]	99.9	99.6
Redundancy	4.7
CC(1/2)	0.992	0.108

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	15% (w/v) PEG 3K, 20% (v/v) 1,2,4-butantriol, 1% (w/v) NDSB 256, 0.03 M lithium sulfate, 0.03 M sodium sulfate, 0.03 M potassium sulfate, 0.1 M GlyGly/AMPD pH 8.5