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. 2020 Nov 24;76(Pt 12):1244–1255. doi: 10.1107/S2059798320013753

Table 2. Crystallographic data-collection and refinement statistics.

Values in parentheses are for the highest resolution shell.

  DSCAMIg7–Ig9 IL-12B CSF-1–CSF-1RD1–D3
Wavelength (Å) 0.976 1.033 0.976
Resolution range (Å) 84.81–1.85 (1.89–1.85) 67.41–2.40 (2.49–2.40) 49.71–2.80 (2.97–2.80)
Space group C2 I41 I41
a, b, c (Å) 78.6, 71.4, 92.2 85.88, 85.88, 107.67 143.00, 143.00, 138.32
α, β, γ (°) 90, 113.1, 90 90, 90, 90 90, 90, 90
Total reflections 148955 (9215) 123592 (9760) 235463 (37046)
Unique reflections 39662 (2418) 15233 (1486) 34125 (5448)
Multiplicity 3.8 (3.8) 8.11 (6.6) 6.9 (6.8)
Completeness (%) 99.0 (97.4) 99.7 (97.4) 99.8 (99.2)
Mean I/σ(I) 12.8 (1.6) 12.2 (0.8) 20.7 (2.3)
Wilson B factor (Å2) 43.1 60.25 82.3
R merge 0.044 (0.874) 0.117 (1.564) 0.059 (0.864)
R meas 0.051 (1.011) 0.125 (1.698) 0.064 (0.815)
R p.i.m. 0.026 (0.502) 0.044 (0.649) 0.024 (0.351)
CC1/2 1.0 (0.7) 0.998 (0.487) 0.999 (0.74)
Reflections used in refinement 37658 (2753) 15215 (1480) 34116 (3318)
Reflections used for R free 2001 (153) 1511 (144) 1706 (165)
R work 0.189 (0.289) 0.229 (0.365) 0.223 (0.409)
R free 0.217 (0.303) 0.265(0.437) 0.261 (0.465)
No. of non-H atoms
 Total 2564 2412 6657
 Macromolecules 2281 2306 6370
 Ligands 116 73 287
 Solvent 167 33 n.a.
No. of protein residues 292 295 833
R.m.s.d., bond lengths (Å) 0.01 0.005 0.006
R.m.s.d., angles (°) 1.80 1.04 1.094
Ramachandran favored (%) 96.9 95.79 95.6
Ramachandran allowed (%) 3.1 4.21 4.4
Ramachandran outliers (%) 0.0 0.00 0.0
Average B factor (Å2)
 Overall 36.9 66.8 100.3
 Macromolecules 33.2 66.4 97.4
 Ligands 74.8 85.7 164.6
 Solvent 60.4 56.0 n.a.
No. of TLS groups 4 n.a. 18
PDB code 6zr7 6sff 4wrl