5KFR

Human DNA polymerase eta-DNA ternary complex with Sp-dATP-alpha-S: reaction with 20 mM Mn2+ for 600s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	98.250, 98.250, 81.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.773 - 1.750
R-factor	0.1788
Rwork	0.175
R-free	0.22290
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		1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.063	0.057	0.985
Number of reflections	44854
<I/σ(I)>	17.27	41.46	2.43
Completeness [%]	99.7	93	100
Redundancy	7.5
CC(1/2)	0.998

Crystallization Conditions

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