5KG1

Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 5 mM Mn2+ for 60s at 30 degree

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	98.240, 98.240, 82.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.932 - 1.620
R-factor	0.1842
Rwork	0.181
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ecq
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000		1.660
High resolution limit [Å]	1.620	7.240	1.620
Rmerge	0.079	0.023	0.798
Number of reflections	56801
<I/σ(I)>	20.22	72.85	2.72
Completeness [%]	99.5	93	100
Redundancy	7.3
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6	298	17% PEG 2000MME, 0.1 M MES