8B67

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

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 PILATUS 6M
Wavelength(s)	0.9677
Spacegroup name	C 1 2 1
Unit cell lengths	162.061, 67.360, 152.129
Unit cell angles	90.00, 111.48, 90.00

Refinement procedure

Resolution	75.400 - 2.600
R-factor	0.2406
Rwork	0.239
R-free	0.27550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m8o
Data reduction software	MOSFLM
Data scaling software	XSCALE
Phasing software	PHASER (3.55)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.400	40.670	2.900
High resolution limit [Å]	2.600	10.000	2.600
Rmerge	0.135	0.028	1.793
Rmeas	0.157	0.033	2.063
Number of reflections	47721	883	13308
<I/σ(I)>	6.97	29.52	0.66
Completeness [%]	98.9	96.2	99.7
Redundancy	3.95	3.572	4.101
CC(1/2)	0.997	0.999	0.374

Crystallization Conditions

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