5KG5

Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 10 mM Cd2+ 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, 82.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.950 - 1.600
R-factor	0.1868
Rwork	0.184
R-free	0.21880
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	0.077	0.025	0.797
Number of reflections	57165
<I/σ(I)>	17.92	62.61	2.46
Completeness [%]	96.4	95.1	100
Redundancy	7.4
CC(1/2)	0.999

Crystallization Conditions

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