4YP3

Mutant Human DNA Polymerase Eta Q38A/R61A 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	98.769, 98.769, 81.966
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.768 - 1.890
R-factor	0.1709
Rwork	0.169
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o3p
RMSD bond length	0.017
RMSD bond angle	1.644
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	1.920
High resolution limit [Å]	1.890	1.890
Rmerge	0.087	0.793
Number of reflections	36455
<I/σ(I)>	14.7	2.211
Completeness [%]	99.9	100
Redundancy	5.7	5.7

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