6Q02

Polymerase Eta-catalyzed insertion of the mismatched A opposite template cytarabine (AraC) residue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97919
Spacegroup name	P 61
Unit cell lengths	98.974, 98.974, 81.791
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.720 - 2.090
R-factor	0.1936
Rwork	0.191
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d0z
RMSD bond length	0.010
RMSD bond angle	0.636
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.720	2.150
High resolution limit [Å]	2.090	2.090
Rmerge	0.133	1.775
Number of reflections	27083	14600
<I/σ(I)>	11.6
Completeness [%]	100.0	100
Redundancy	6.8	6.9
CC(1/2)	0.997	0.348

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	MES BUFFER, PEG1500