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. 2020 Oct 6;21(19):7375. doi: 10.3390/ijms21197375

Table 1.

Data collection, structure determination and refinement statistics for nsp10 from SARS-CoV-2. Data in parenthesis correspond to the highest resolution shell.

Data Collection and Refinement Statistics SARS-CoV-2 nsp10 (PDB ID 6ZPE)
Wavelength (Å) 0.976
Resolution range (Å) 75.39–1.58 (1.61–0.58)
Space group I213
Unit cell parameters (Å; °) a = b = c = 106.62 Å; α = β = γ = 90
Matthew coefficient (Å3/Da) 3.81
Molecules per asymmetric unit 1
Total reflections 277,522 (14,080)
Unique reflections 27,706 (1391)
Multiplicity 10.0 (10.1)
Completeness (%) 99.9 (100.0)
Mean I/sigma(I) 21.1 (2.0)
Wilson B-factor 29.95
R-meas (%) 4.7 (128.3)
CC1/2 (%) 99.9 (70.9)
Reflections used in refinement 27,702 (2782)
Rcryst/Rfree (%) 15.2/16.0
Total no. of non-hydrogen atoms (protein) 1122
No. of protein/ligand/solvent residues 127/11/169
RMSD bond lengths, bond angles (Å; °) 0.012/1.09
Ramachandran
favored/allowed/outliers/rotamer outliers (%)
98.4/1.6/0.0/0.0
Clashscore 2.7
Average B-factor/protein/ligands/solvent 38.0/35.9/55.8/48.2