7U72

Human DNA polymerase eta-DNA ternary mismatch complex:ground state at pH7.0 (K+ MES) with 1 Ca2+ ion

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	97.906, 97.906, 81.697
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.990 - 1.530
R-factor	0.1897
Rwork	0.187
R-free	0.22000
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_4080)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.990	41.990	1.620
High resolution limit [Å]	1.530	4.570	1.530
Rmerge	0.043	0.022	1.023
Rmeas	0.048	0.024	1.228
Total number of observations	690539
Number of reflections	66937	4947	21030
<I/σ(I)>	16.65	56.58	1.01
Completeness [%]	99.7	99.4	98.5
Redundancy	5.236	5.638	3.202
CC(1/2)	1.000	0.999	0.414

Crystallization Conditions

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