5WNZ

DNA polymerase beta substrate complex with incoming 5-FodCTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-22
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	50.607, 79.627, 55.624
Unit cell angles	90.00, 107.24, 90.00

Refinement procedure

Resolution	24.962 - 2.200
R-factor	0.1987
Rwork	0.193
R-free	0.25410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.008
RMSD bond angle	0.900
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]	25.000	25.000	2.240
High resolution limit [Å]	2.200	5.950	2.200
Rmerge	0.097	0.100	0.430
Rmeas	0.113	0.116	0.562
Rpim	0.056	0.058	0.358
Number of reflections	34486	1084	975
<I/σ(I)>	10
Completeness [%]	98.0	97.1	94.5
Redundancy	3.4	3.8	2
CC(1/2)		0.979	0.735

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.