4O3R

Crystal structure of human polymerase eta extending an 8-oxog dna lesion: post insertion of 8-oxog-da pair

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 61
Unit cell lengths	98.613, 98.613, 81.842
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.701 - 1.620
R-factor	0.1638
Rwork	0.162
R-free	0.20410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ecq
RMSD bond length	0.010
RMSD bond angle	1.383
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	2.110	1.650
High resolution limit [Å]	1.620	2.040	1.620
Rmerge	0.092	0.183	0.764
Number of reflections	57390
<I/σ(I)>	25.25	15.727	3
Completeness [%]	100.0	100	100
Redundancy	7.4	7.6	6.3

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, 16.5% PEG 2000 MME , VAPOR DIFFUSION, HANGING DROP, temperature 291.0K