7U7K

Human DNA polymerase eta-DNA ternary mismatch complex:reaction with 10.0 mM Mn2+ for 600s

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	97.782, 97.782, 81.673
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.950 - 1.670
R-factor	0.1798
Rwork	0.176
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kfl
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]	41.950	41.950	1.770
High resolution limit [Å]	1.670	4.980	1.670
Rmerge	0.067	0.022	1.683
Rmeas	0.074	0.024	1.853
Total number of observations	579527
Number of reflections	51425	3820	16327
<I/σ(I)>	14.61	59.18	0.97
Completeness [%]	99.9	99.7	99.4
Redundancy	5.724	5.63	5.642
CC(1/2)	0.999	1.000	0.354

Crystallization Conditions

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