4O3S

Crystal structure of human polymerase eta extending an 8-oxog dna lesion: post insertion of 8-oxog-dc 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	98.312, 98.312, 81.596
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.570 - 1.717
R-factor	0.1742
Rwork	0.172
R-free	0.21040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ecq
RMSD bond length	0.007
RMSD bond angle	1.163
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	2.240	1.750
High resolution limit [Å]	1.720	2.170	1.720
Rmerge	0.060	0.123	0.757
Number of reflections	47707
<I/σ(I)>	31.255	17.973	2.622
Completeness [%]	99.7	99.9	99.2
Redundancy	7.2	7.5	6.6

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, 17% PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K