5WO0

DNA polymerase beta substrate complex with incoming 5-FodUTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-31
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	50.728, 79.637, 55.289
Unit cell angles	90.00, 107.28, 90.00

Refinement procedure

Resolution	31.790 - 1.600
R-factor	0.2012
Rwork	0.200
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.006
RMSD bond angle	0.880
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	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.065	0.052	0.740
Rmeas	0.072	0.056	0.915
Rpim	0.030	0.019	0.532
Total number of observations	232652
Number of reflections	55295	2847	2762
<I/σ(I)>	16.8
Completeness [%]	99.9	99.8	99.5
Redundancy	4.2	8.4	2.8
CC(1/2)		0.998	0.562

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