5KG6

Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 10 mM Ca2+ 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	98.110, 98.110, 81.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.663 - 1.550
R-factor	0.195
Rwork	0.192
R-free	0.22890
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]			1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.055	0.018	0.826
Rmeas	0.059	0.020	0.887
Total number of observations	455281
Number of reflections	60127	682	4792
<I/σ(I)>	24.78	100.4	2.48
Completeness [%]	92.6	89.3	99.6
CC(1/2)	1.000	1.000	0.783

Crystallization Conditions

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