7U7C

Human DNA polymerase eta-DNA ternary mismatch complex:reaction with 1.0 mM Mg2+ for 300s

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	98.341, 98.341, 82.204
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.200 - 1.550
R-factor	0.1817
Rwork	0.180
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ecq
RMSD bond length	0.008
RMSD bond angle	1.112
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]	42.200	42.200	1.640
High resolution limit [Å]	1.550	4.630	1.550
Rmerge	0.043	0.025	0.597
Rmeas	0.048	0.027	0.687
Total number of observations	685977
Number of reflections	127109	4832	19186
<I/σ(I)>	19.68	54.59	2.07
Completeness [%]	98.7	99.5	92
Redundancy	5.397	5.615	3.855
CC(1/2)	0.999	0.999	0.718

Crystallization Conditions

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