9NKC

Dpo4 DNA polymerase (Wild Type) in complex with DNA containing an 8oxoG template lesion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-08
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 2
Unit cell lengths	98.788, 101.775, 52.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.640 - 2.500
R-factor	0.1934
Rwork	0.186
R-free	0.25850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qz7
RMSD bond length	0.016
RMSD bond angle	1.462
Data reduction software	HKL-2000 (v722)
Data scaling software	HKL-2000 (v722)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.089	0.696
Rmeas	0.099	0.771
Rpim	0.044	0.327
Number of reflections	18593	1799
<I/σ(I)>	14.4	2.1
Completeness [%]	99.0	97.3
Redundancy	5	5.4
CC(1/2)	0.993	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	calcium acetate, HEPES, PEG-3350