5KG2

Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 5 mM Mn2+ for 60s at 37 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	98.270, 98.270, 82.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.707 - 1.600
R-factor	0.1854
Rwork	0.184
R-free	0.20360
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		1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.062	0.022	0.761
Number of reflections	55228
<I/σ(I)>	22.18	82.51	2.64
Completeness [%]	92.9	90.8	99.9
Redundancy	7.5
CC(1/2)	0.999

Crystallization Conditions

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