7U80

Human DNA polymerase eta-DNA-dGMPNPP ternary mismatch complex in 0.25 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	98.731, 98.731, 82.026
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.750 - 1.830
R-factor	0.1813
Rwork	0.179
R-free	0.21420
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]	42.750	42.750	1.940
High resolution limit [Å]	1.830	5.440	1.830
Rmerge	0.097	0.049	1.473
Rmeas	0.107	0.054	1.627
Total number of observations	450506
Number of reflections	78821	2979	12478
<I/σ(I)>	9.16	27.97	0.99
Completeness [%]	99.6	99.7	97.7
Redundancy	5.716	5.702	5.498
CC(1/2)	0.998	0.998	0.478

Crystallization Conditions

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