5KFM

Human DNA polymerase eta-DNA ternary complex with Sp-dATP-alpha-S: ground state at pH7.0 (K+ MES) with 1 Ca2+ ion

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	98.350, 98.350, 81.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.899 - 1.600
R-factor	0.1972
Rwork	0.194
R-free	0.23400
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	0.058	0.025	0.823
Number of reflections	55935
<I/σ(I)>	20.39	75.04	2.19
Completeness [%]	94.3	95.1	98.7
Redundancy	7.3
CC(1/2)	0.999

Crystallization Conditions

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