8B76

The crystal structure of M644G variant of DNA Pol Epsilon containing dTTP in the polymerase active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 2 1
Unit cell lengths	154.160, 69.880, 159.050
Unit cell angles	90.00, 112.63, 90.00

Refinement procedure

Resolution	86.830 - 2.600
R-factor	0.2217
Rwork	0.220
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m8o
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.830	86.830	2.640
High resolution limit [Å]	2.600	14.240	2.600
Rmerge	0.092	0.037	0.684
Rmeas	0.111	0.046	0.825
Rpim	0.062	0.027	0.456
Total number of observations	291431	1823	14771
Number of reflections	96267	604	4743
<I/σ(I)>	7.4	16.8	1.5
Completeness [%]	99.5	91.7	99.8
Redundancy	3	3	3.1
CC(1/2)	0.995	0.982	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292	10mM Tris, 15% PEG8K,10mM CaCl2