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 |
Values in parentheses are for the highest resolution shell.
Rfactor = Σ||Fo|−|Fc||/Σ|Fo|, where Fo and Fc are observed and calculated as structure factors, respectively.
Rfree is calculated using 5% of total reflections, which is randomly selected as a free group and not used in refinement.