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. 2021 Jun 25;297(1):100911. doi: 10.1016/j.jbc.2021.100911

Table 1.

Data collection and refinement statistics

Parameter NcPCNA
Data collection
 Beamline RRCAT-PX BL21
 Detector type MAR mosaic 225 mm CCD
 Wavelength (Å) 0.9794
 Data collection temperature (K) 100
 Space group H3
 a, b, c (Å) 86.29, 86.29, 91.94
 α, β, γ (°) 90, 90, 120
 Resolution (Å) 39.15–1.95 (2.0–1.95)
 Mean I/σ(I) 12.5 (1.9)
 CC1/2 0.994 (0.602)
 Completeness (%) 99.9 (100)
 Total number of reflections 109,680 (7782)
 Rp.i.m. 0.075 (0.541)
 Rmerge 0.105 (0.750)
 Rmeas 0.129 (0.928)
 Multiplicity 5.9 (5.8)
 Wilson B-factor (Å2) 21.1
 Matthew’s coefficient (Å3/Da) 2.26
 Solvent content (%) 45.63
 No. of molecules in ASU 1
Refinement
 No. of unique reflections 18,622 (1336)
 Twining type/fraction Merohedral/0.192
 Twin law h, -h-k, -l
 Rwork/Rfree (%) 19.6/23.5
 Total no. of atoms 2123
 No. of protein atoms 1975
 No. of solvent atoms 148
 Mean B-factor (Å2) 29.0
 Mean B-factor main chain atoms (Å2) 27.18
 Mean B-factor side chain atoms (Å2) 31.53
RMSD
 Bond lengths (Å) 0.01
 Bond angles (°) 1.138
Ramachandran plot (%)
 Favored region 96.85
 Allowed region 3.15
 Outliers 0.0
 Clash score 2.0
 MolProbity score 1.23
 PDB ID 7EP8