5DQH

Crystal Structure of Human DNA Polymerase Eta Inserting dGMPNPP Opposite O4-Ethylthymidine

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	2014-10-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 61
Unit cell lengths	98.471, 98.471, 82.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.639 - 1.990
R-factor	0.1637
Rwork	0.161
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o3n
RMSD bond length	0.008
RMSD bond angle	1.116
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.990	1.990
Rmerge	0.139	0.997
Number of reflections	30825
<I/σ(I)>	19.92	2.31
Completeness [%]	98.9	98.5
Redundancy	11.4	10

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, 22% PEG 2000 MME