6H1V

The crystal structure of Pol2CORE in complex with DNA and an incoming nucleotide, carrying an Fe-S cluster

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	90
Detector technology	PIXEL
Collection date	2017-07-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98400
Spacegroup name	C 1 2 1
Unit cell lengths	148.210, 70.040, 149.930
Unit cell angles	90.00, 109.43, 90.00

Refinement procedure

Resolution	19.990 - 2.700
R-factor	0.24
Rwork	0.239
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m8o
Data reduction software	MOSFLM
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.040	73.040	2.810
High resolution limit [Å]	2.700	9.740	2.700
Rmerge	0.152	0.059	1.654
Rmeas	0.186	0.073	2.046
Rpim	0.106	0.043	1.188
Number of reflections	39543	902	4395
<I/σ(I)>	5.1
Completeness [%]	98.6	98.4	97.5
Redundancy	2.9	2.7	2.7
CC(1/2)	0.972	0.945	0.144

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)
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)