7U81

Human DNA polymerase eta-DNA-dGMPNPP ternary mismatch complex in 0.5 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	2021-03-31
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9786
Spacegroup name	P 61
Unit cell lengths	98.311, 98.311, 82.088
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.570 - 1.600
R-factor	0.1901
Rwork	0.188
R-free	0.21940
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]	42.570	42.570	1.690
High resolution limit [Å]	1.600	4.760	1.600
Rmerge	0.052	0.024	1.225
Rmeas	0.057	0.026	1.380
Total number of observations	655592
Number of reflections	65474	4416	18629
<I/σ(I)>	17.29	61.7	1.1
Completeness [%]	99.4	99.3	97.3
Redundancy	5.585	5.671	4.671
CC(1/2)	0.999	0.999	0.403

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	10% PEG2000 MME, 0.1 M MES