4O3O

Crystal structure of human polymerase eta inserting datp opposite an 8-oxog containing 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	98.567, 98.567, 81.555
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.681 - 1.698
R-factor	0.174
Rwork	0.172
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ecq
RMSD bond length	0.011
RMSD bond angle	1.409
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER ((MR))
Refinement software	PHENIX ((phenix.refine: dev_1551))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.220	1.730
High resolution limit [Å]	1.698	2.140	1.700
Rmerge	0.064	0.160	0.959
Number of reflections	49366
<I/σ(I)>	28.474	13.211	1.75
Completeness [%]	99.5	99.4	99
Redundancy	7.4	7.6	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	0.1M MES pH 5.5, 5mM magnesium chloride, 15% PEG 2000 MME , VAPOR DIFFUSION, HANGING DROP, temperature 291.0K