4O3N

Crystal structure of human dna polymerase eta in ternary complex with native dna and incoming nucleotide (dcp)

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	98.662, 98.662, 81.787
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.242 - 1.579
R-factor	0.1724
Rwork	0.170
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ecq
RMSD bond length	0.019
RMSD bond angle	1.816
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER ((MR))
Refinement software	PHENIX ((phenix.refine: dev_1516))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.060	1.610
High resolution limit [Å]	1.579	1.990	1.580
Rmerge	0.065	0.158	0.900
Number of reflections	61922
<I/σ(I)>	37.397	15.607	2.204
Completeness [%]	99.9	100	99.9
Redundancy	7.4	7.4	7.1

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, 15.5% PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K