7U7G

Human DNA polymerase eta-DNA ternary mismatch complex:reaction with 10.0 mM Mn2+ for 120s

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	2021-12-14
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9787
Spacegroup name	P 61
Unit cell lengths	97.792, 97.792, 82.081
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.350 - 1.770
R-factor	0.1769
Rwork	0.175
R-free	0.20970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kfi
RMSD bond length	0.009
RMSD bond angle	1.213
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.19_4080)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.350	42.350	1.870
High resolution limit [Å]	1.760	5.240	1.760
Rmerge	0.077	0.028	1.692
Rmeas	0.084	0.031	1.862
Total number of observations	499442
Number of reflections	86829	3285	13946
<I/σ(I)>	12.87	47.42	0.98
Completeness [%]	99.7	99.8	99.1
Redundancy	5.752	5.637	5.686
CC(1/2)	0.999	0.999	0.407

Crystallization Conditions

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