7U7E

Human DNA polymerase eta-DNA ternary mismatch complex:reaction with 10.0 mM Mn2+ for 60s

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	97.997, 97.997, 81.944
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.050 - 1.580
R-factor	0.1854
Rwork	0.183
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l9k
RMSD bond length	0.008
RMSD bond angle	1.173
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]	42.050	42.050	1.670
High resolution limit [Å]	1.580	4.710	1.580
Rmerge	0.076	0.032	1.358
Rmeas	0.084	0.035	1.554
Total number of observations	658527
Number of reflections	120127	4533	19091
<I/σ(I)>	13.91	43	1.23
Completeness [%]	99.3	99.8	97.6
Redundancy	5.482	5.678	4.202
CC(1/2)	0.999	0.998	0.377

Crystallization Conditions

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