6DIC

D276G DNA polymerase beta substrate complex with templating cytosine and incoming Fapy-dGTP analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-16
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	50.800, 80.400, 55.500
Unit cell angles	90.00, 107.90, 90.00

Refinement procedure

Resolution	20.657 - 1.992
R-factor	0.1809
Rwork	0.175
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.062	0.039	0.368
Total number of observations	95086
Number of reflections	27639	2844	2557
<I/σ(I)>	11.5
Completeness [%]	96.4	97.1	89.8
Redundancy	3.4	3.8	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	50mM Imidazole, 350mM Sodium Acetate, 16% Peg3350