6UOM

Y271G DNA polymerase beta ternary complex with templating adenine and incoming r8-oxo-GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-23
Detector	RIGAKU SATURN 944
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 - 2.050
R-factor	0.1985
Rwork	0.194
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.14_3260)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.088	25.000	2.090
High resolution limit [Å]	2.040	5.550	2.050
Rmerge	0.079	0.037	0.650
Rmeas	0.093	0.044	0.809
Rpim	0.047	0.023	0.474
Number of reflections	37845	1343	1236
<I/σ(I)>	8
Completeness [%]	99.1	98.7	95.8
Redundancy	3.6	3.3	2.2
CC(1/2)		0.993	0.468

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292	50 mM imidazole, 350 mM sodium chloride, 19% PEG3350, pH 8.0