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. 2012 Nov 2;423(4):515–527. doi: 10.1016/j.jmb.2012.08.005

Table 1.

Data processing and refinement statistics

Data collection
PDB ID 2XWC 4A63
Space group P4332 I121
Cell dimensions
 a/b/c (Å) 110.4/110.4/110.4 132.8/170.1/177.6
 α/β/γ (°) 90/90/90 90/92/90
Resolution (Å) 1.82 (1.92–1.82) 2.65 (2.79–2.65)
Unique observations 21,247 (3017) 111,026 (16,378)
Completeness (%) 100 (100) 97.4 (98.7)
Redundancy 13.2 (12.9) 3.7 (3.8)
Rmerge 0.165 (1.239) 0.115 (0.686)
II 11.9 (2) 8.4 (2.1)



Refinement
Resolution (Å) 1.82 2.65
Rwork/Rfree (%) 0.1890/0.2282 0.2151/0.2441
Number of atoms
 Protein 1590 18,380
 Heteroatoms 19 46
 Water 175 806
B‐factors
 Protein 24.64 51.32
 Heteroatoms 39.97 57.34
 Water 28.7 43.76
RMSD
 Bond lengths (Å) 0.016 0.01
 Bond angles (°) 1.542 1.08

Numbers in parentheses refer to the highest-resolution shell.