5WNX

DNA polymerase beta substrate complex with incoming 6-TdGTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-09
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	50.243, 79.203, 55.625
Unit cell angles	90.00, 107.36, 90.00

Refinement procedure

Resolution	41.021 - 2.550
R-factor	0.2143
Rwork	0.206
R-free	0.28950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.008
RMSD bond angle	0.964
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.550	6.920	2.550
Rmerge	0.133	0.084	0.766
Rmeas	0.144	0.092	0.853
Rpim	0.054	0.037	0.366
Total number of observations	96895
Number of reflections	13752	717	665
<I/σ(I)>	7.4
Completeness [%]	99.9	99.7	99.7
Redundancy	7	6.4	5.3
CC(1/2)		0.991	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	50 mM imidazole, pH 7.5, 16% PEG3350 and 350 mM sodium acetate