4RU9

Crystal structure of human DNA polymerase eta inserting dCMPNPP opposite a MeFapy-dG adducted DNA template

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.07810
Spacegroup name	P 61
Unit cell lengths	98.971, 98.971, 81.624
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.650
R-factor	0.16241
Rwork	0.159
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o3n
RMSD bond length	0.011
RMSD bond angle	1.512
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER ((MR))
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.790	2.520
High resolution limit [Å]	2.480	2.730	2.480
Rmerge	0.145
Number of reflections	16058
<I/σ(I)>	11.781	2.576	1.026
Completeness [%]	99.1	100	100
Redundancy	5.5	5.7	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	0.1 M MES pH 5.5, 5mM magnesium chloride, 25% PEG 2000 MME , VAPOR DIFFUSION, HANGING DROP, temperature 291.0K