4M8O

TERNARY COMPLEX OF DNA POLYMERASE EPSILON WITH AN INCOMING dATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.873
Spacegroup name	C 1 2 1
Unit cell lengths	148.495, 68.919, 149.852
Unit cell angles	90.00, 109.50, 90.00

Refinement procedure

Resolution	47.050 - 2.200
R-factor	0.183
Rwork	0.180
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iay
RMSD bond length	0.016
RMSD bond angle	1.866
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.050	2.320
High resolution limit [Å]	2.200	2.200
Rmerge		0.548
Number of reflections	69054
<I/σ(I)>		2.5
Completeness [%]	99.9	99.8
Redundancy		3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	20% PEG-3350, 50 mM Hepes-NaOH pH 7.0, 10 mM MgCl2, 400 mM LiAc, and 10 mM 2-aminoethanesulfonic acid (taurine) , VAPOR DIFFUSION, HANGING DROP, temperature 291K