6QIB

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 MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-03
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	C 1 2 1
Unit cell lengths	158.360, 70.402, 154.240
Unit cell angles	90.00, 112.99, 90.00

Refinement procedure

Resolution	78.480 - 2.800
R-factor	0.2265
Rwork	0.223
R-free	0.28560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m8o
RMSD bond length	0.003
RMSD bond angle	1.057
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.480	78.480	2.920
High resolution limit [Å]	2.800	9.700	2.800
Rmerge	0.126	0.043	1.082
Rmeas	0.143	0.050	1.224
Rpim	0.066	0.024	0.561
Number of reflections	38251	996	4699
<I/σ(I)>	7.8
Completeness [%]	98.5	99.5	99.2
Redundancy	4.3	4	4.5
CC(1/2)	0.995	0.994	0.447

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	10mM Tris HCl pH8, 10mM CaCl2, 15% PEG8000