7U7A

Human DNA polymerase eta-DNA ternary mismatch complex:reaction with 1.0 mM Mg2+ for 200s

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	2021-11-28
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9787
Spacegroup name	P 61
Unit cell lengths	97.924, 97.924, 81.666
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.990 - 1.580
R-factor	0.1884
Rwork	0.187
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ecq
RMSD bond length	0.009
RMSD bond angle	1.106
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	1.670
High resolution limit [Å]	1.580	4.710	1.580
Rmerge	0.078	0.025	1.561
Rmeas	0.086	0.028	1.781
Total number of observations	660584
Number of reflections	120099	4513	19141
<I/σ(I)>	14.46	55.12	0.94
Completeness [%]	99.7	99.8	98.5
Redundancy	5.5	5.613	4.265
CC(1/2)	0.999	0.999	0.311

Crystallization Conditions

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