7U7L

Human DNA polymerase eta-DNA ternary mismatch complex:reaction with 1.0 mM Mg2+ for 300s with flipped-out product

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	2021-10-31
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9787
Spacegroup name	P 61
Unit cell lengths	98.164, 98.164, 81.882
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.100 - 1.470
R-factor	0.1874
Rwork	0.187
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ecq
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.100	42.100	1.560
High resolution limit [Å]	1.470	4.400	1.470
Rmerge	0.047	0.034	0.608
Rmeas	0.052	0.037	0.775
Total number of observations	731442
Number of reflections	75884	5599	23348
<I/σ(I)>	16.23	45.84	1.29
Completeness [%]	99.0	99.8	96.1
Redundancy	4.929	5.628	2.364
CC(1/2)	0.999	0.999	0.552

Crystallization Conditions

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