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Table 1 Summary of data collection and refinement statistics

From: Crystal structures of wild-type and mutated cyclophilin B that causes hyperelastosis cutis in the American quarter horse

  Wild-type CypB (4FRU) HC CypB (4FRV)
Data collection   
Space group C2 C2
a, b, c (Å) 64.9, 44.1, 60.6 64.8, 44.2, 60.1
α, β, γ (°) 90, 95.2, 90 90, 95.5, 90
Resolutiona (Å) 16.4-1.1 (1.16-1.10) 16.3-1.1 (1.16-1.10)
Measured reflectionsa 208,598 (10,718) 206,447 (10,544)
Unique reflectionsa 62,397 (5,316) 61,849 (5,304)
Redundancya 3.3 (2.0) 3.3 (2.0)
Completenessa (%) 90.4 (53.4) 90.2 (53.4)
Matthews coefficient (Å3 Da-1) 2.1 2.1
Solvent fraction (%) 41.8 41.1
I/σIa 9.8 (3.9) 12.4 (4.2)
Wilson plot B-factor (Å2) 4.2 4.4
Rmergea(%) 7.8 (27.2) 5.2 (24.2)
Refinement   
R-factor (%) 11.6 11.9
Rfree (%) 13.9 13.8
Protein/solvent atomsb 1472/300 1481/293
Rmsd. of bond lengths (Å) 0.007 0.007
Rmsd. of bond angles (°) 1.30 1.29
Average B valuec2) 10.0 (7.8) 10.2 (7.2)
Ramachandran favored/allowed/outliers (%) 97.8 / 2.2 / 0 97.8 / 2.2 / 0
MolProbity score [22] 0.64 (100th percentile) 0.90 (99th percentile)
  1. aValues in parentheses are for the highest resolution shell.
  2. bExcluding hydrogen atoms.
  3. cValues in parentheses are for macromolecule atoms.