5KG3

Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 10 mM Mn2+ for 60s

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	98.210, 98.210, 82.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.978 - 1.700
R-factor	0.2003
Rwork	0.197
R-free	0.23660
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		1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.146	0.034	0.879
Number of reflections	49002
<I/σ(I)>	14.28	47.49	2.51
Completeness [%]	98.9	93.2	99.9
Redundancy	6.5
CC(1/2)	0.996

Crystallization Conditions

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