6M7O

Human DNA polymerase eta ternary complex with Mn2+ and dTMPNPP oppositing cdA

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	2015-04-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	98.900, 98.900, 81.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.437 - 3.000
R-factor	0.2332
Rwork	0.231
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ecv
RMSD bond length	0.004
RMSD bond angle	0.875
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.080
High resolution limit [Å]	3.000	3.000
Rmerge	0.089	0.960
Number of reflections	9111	672
<I/σ(I)>	19.4
Completeness [%]	99.8
Redundancy	9.5
CC(1/2)	0.990	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	16 % PEG 2000 MME 100 mM MES, pH 6.0