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. 2014 Feb 7;9(2):e87577. doi: 10.1371/journal.pone.0087577

Table 1. Data collection and structure refinement statistics.

Data collection LASV L endonuclease with two Mg2+ ions
Wavelength (Å) 0.9793
Space group P43212
Unit-cell parameters (Å; °) 57.72, 57.72, 134.51; 90, 90, 90
Resolution (Å) 40.81–1.72 (1.85–1.72)a
Unique reflections 24168 (2208)
Completeness (%) 96.65 (90.71)
Multiplicity 9.3 (9.7)
Mean I/σ (I) 43.65 (6.11)
Rmerge (%) 0.048 (0.579)
Refinement
Rfactor b 16.51 (19.8)
Rfree c 17.72 (25.43)
Number of atoms 1546
Protein 1386
Metal ions 2
Solvent 158
RMSD bond (Å)/angles (°) 0.010/1.12
Ramachandran favored (%) 99%
Mean B-factors (Å2) 22.9
Protein 21.9
Solvent 31.6
PDB accession code 4MIW
a

Values in parentheses are for the highest resolution shell.

b

Rfactor = Σ||Fo|−|Fc||/Σ|Fo|, where Fo and Fc are observed and calculated as structure factors, respectively.

c

Rfree is calculated using 5% of total reflections, which is randomly selected as a free group and not used in refinement.