6T6L

Mopeia Virus Exonuclease domain complexed soak with Alendronate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	93.15
Detector technology	PIXEL
Collection date	2018-11-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97242
Spacegroup name	C 1 2 1
Unit cell lengths	133.211, 111.337, 49.149
Unit cell angles	90.00, 104.17, 90.00

Refinement procedure

Resolution	47.654 - 1.757
R-factor	0.193
Rwork	0.191
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sx8
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.580	64.580	1.850
High resolution limit [Å]	1.757	5.560	1.760
Rmerge	0.075	0.050	0.456
Rmeas	0.089	0.059	0.537
Rpim	0.046	0.031	0.279
Total number of observations		7404	35967
Number of reflections	67897	2129	9938
<I/σ(I)>	9.7	20.3	2.6
Completeness [%]	98.4	95.3	98.8
Redundancy	3.6	3.5	3.6
CC(1/2)	0.996	0.995	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M MES 25-27 % PEG 8000