6UOK

Y271G DNA polymerase beta substrate complex with templating cytosine 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	PIXEL
Collection date	2019-06-28
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	54.687, 79.957, 100.832
Unit cell angles	90.00, 97.64, 90.00

Refinement procedure

Resolution	24.140 - 2.550
R-factor	0.2285
Rwork	0.224
R-free	0.27870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.004
RMSD bond angle	0.616
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.590
High resolution limit [Å]	2.550	6.880	2.550
Rmerge	0.111	0.062
Rmeas	0.124	0.069
Rpim	0.062	0.031
Number of reflections	42693	1476	1430
<I/σ(I)>	5.8
Completeness [%]	99.9	99.9	99.7
Redundancy	4.8	4.4	3.9
CC(1/2)		0.994	0.385

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	19% PEG3350, 0.05M Imidazole (pH 8.0), 0.35 Sodium Acetate