6VGM

Crystal structure of DPO4 with 8-oxoadenine (oxoA) and dTTP*

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	120
Detector technology	PIXEL
Collection date	2018-10-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	52.835, 97.459, 101.237
Unit cell angles	90.00, 90.05, 90.00

Refinement procedure

Resolution	42.230 - 2.840
Rwork	0.230
R-free	0.27980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jx4
RMSD bond length	0.010
RMSD bond angle	0.942
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.17)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.890
High resolution limit [Å]	2.840	2.840
Rpim	0.075	0.725
Number of reflections	24043	1289
<I/σ(I)>	15.9
Completeness [%]	98.5
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	50 mM Tris 100 mM Magnesium Acetate 16% PEG 3350