7U7R

Human DNA polymerase eta-DNA-dGMPNPP ternary mismatch complex:no Me2+ soaking

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2021-03-27
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9786
Spacegroup name	P 61
Unit cell lengths	97.989, 97.989, 81.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.410 - 1.640
R-factor	0.1943
Rwork	0.193
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ecq
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.410	29.410	1.740
High resolution limit [Å]	1.640	4.910	1.640
Rmerge	0.053	0.022	1.342
Rmeas	0.058	0.024	1.486
Total number of observations	602745
Number of reflections	54008	3976	17021
<I/σ(I)>	15.43	56.09	1.07
Completeness [%]	99.6	99.5	98.3
Redundancy	5.672	5.716	5.335
CC(1/2)	0.999	0.999	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	10% PEG 2000MME, 0.1 M MES