4YR0

Mutant Human DNA Polymerase Eta R61M Inserting dCTP Opposite an 8-Oxoguanine Lesion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 61
Unit cell lengths	98.727, 98.727, 82.446
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.750 - 1.780
R-factor	0.1745
Rwork	0.172
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o3p
RMSD bond length	0.008
RMSD bond angle	1.172
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.094	0.793
Number of reflections	43702
<I/σ(I)>	13.1	1.87
Completeness [%]	99.7	98.6
Redundancy	5.5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	NaMES (pH 6.0), polyethylene glycol monomethyl ether 2000, and calcium chloride