6SX8

Mopeia Virus Exonuclease domain complexed with Manganese

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	173
Detector technology	PIXEL
Collection date	2018-05-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97857
Spacegroup name	P 1 2 1
Unit cell lengths	45.537, 38.014, 137.230
Unit cell angles	90.00, 92.94, 90.00

Refinement procedure

Resolution	38.820 - 1.800
R-factor	0.2129
Rwork	0.211
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ls4
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.520	68.520	1.880
High resolution limit [Å]	1.790	5.650	1.790
Rmerge	0.041	0.027	0.355
Rmeas	0.048	0.032	0.416
Rpim	0.025	0.016	0.214
Total number of observations	163593	5035	23941
Number of reflections	44791	1505	6503
<I/σ(I)>	14	37.9	2.6
Completeness [%]	99.4	98.5	99.4
Redundancy	3.7	3.3	3.7
CC(1/2)	0.999	0.999	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M MES, PEG 8000 manganese