5WNY

DNA polymerase beta substrate complex with incoming 5-FdUTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-11
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	50.480, 79.747, 55.570
Unit cell angles	90.00, 107.23, 90.00

Refinement procedure

Resolution	24.651 - 2.100
R-factor	0.1852
Rwork	0.181
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.008
RMSD bond angle	0.889
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	2.140
High resolution limit [Å]	2.100	5.680	2.100
Rmerge	0.137	0.096	0.459
Rmeas	0.151	0.105	0.574
Rpim	0.062	0.042	0.340
Total number of observations	113357
Number of reflections	24929	1286	1214
<I/σ(I)>	14.3
Completeness [%]	99.8	100	99.2
Redundancy	4.5	6.1	2.6
CC(1/2)		0.991	0.740

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