9NKD

Dpo4 DNA polymerase (R332A) 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	98.980, 102.445, 51.966
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.740 - 2.500
R-factor	0.2176
Rwork	0.210
R-free	0.27980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qz7
RMSD bond length	0.015
RMSD bond angle	1.446
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	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.069	0.615
Rmeas	0.079	0.697
Rpim	0.037	0.320
Number of reflections	18784	1831
<I/σ(I)>	12.1	2.6
Completeness [%]	98.7	98.6
Redundancy	4.2	2.6
CC(1/2)	0.998	0.746

Crystallization Conditions

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