9I44

Exonuclease domain of Machupo virus complexed with magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 31 2 1
Unit cell lengths	86.098, 86.098, 71.294
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.050 - 2.309
R-factor	0.2255
Rwork	0.225
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.980
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	MoRDa (1.8)
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.050	43.050	2.349
High resolution limit [Å]	2.309	6.261	2.309
Rmerge	0.151	0.049	1.716
Rmeas	0.155	0.051	1.773
Rpim	0.035	0.012	0.443
Number of reflections	13770	753	679
<I/σ(I)>	14.9	45.3	1.7
Completeness [%]	100.0	100	100
Redundancy	19.6	17.9	16
CC(1/2)	0.999	0.999	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES (pH 5.8), 38 % - 45 % PEG 3.350 K