7K96

Human DNA polymerase beta ternary complex with templating cytosine and incoming deoxyguanosine diphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-05
Detector	DECTRIS PILATUS 200K
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	25.000 - 2.100
R-factor	0.1892
Rwork	0.183
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.010
RMSD bond angle	1.112
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.140
High resolution limit [Å]	2.100	2.100
Rmeas	0.109	0.902
Rpim	0.048	0.525
Number of reflections	23635	1166
<I/σ(I)>	11.4	1.3
Completeness [%]	99.1	97.7
Redundancy	4.5	2.4
CC(1/2)		0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	50 mM imidazole, 350 mM sodium chloride, 16-17% PEG3350