6M7U

Human DNA polymerase eta in a non-productive ternary complex with Mg2+ 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	2014-08-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	63.310, 80.470, 142.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.458 - 3.400
R-factor	0.2563
Rwork	0.255
R-free	0.28420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3si8
RMSD bond length	0.006
RMSD bond angle	1.262
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	3.580	3.280
High resolution limit [Å]	3.200	3.470	3.200
Rmerge	0.194	0.525	0.828
Number of reflections	11672	752	781
<I/σ(I)>	3.78
Completeness [%]	93.0	90.5	87.6
Redundancy	4.4
CC(1/2)	0.965	0.780	0.159

Crystallization Conditions

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