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. 2012 Jan 31;21(4):520–530. doi: 10.1002/pro.2036

Table I.

X-ray Diffraction Data Collection and Refinement Statistics for apo-CATI and CATI-CAM Structures

Apo-CATI CATI-CAM
Data collection
Space group P21 P1
Number of trimers per asymmetric unit 3 6
Unit cell dimensions
a, b, c (Å) 115.2, 102.7, 114.1 107.5, 114.5, 114.5
 α, β, γ (°) 90, 119.9, 90 119.9, 97.8, 98.7
Resolution (Å) 50.0–3.2 (3.3–3.2)a 50.0–2.9 (3.0–2.9)a
I 9.3 (2.1) 14.3 (2.3)
Completeness (%) 98.4 (86.1) 87.3 (85.0)
Redundancy 4.3 (3.5) 1.7 (1.7)
Rmerge 0.15 (0.476) 0.06 (0.38)
Number of unique reflections 35,818 82,522
Structure refinement statistics
Resolution (Å) 40.0–3.2 35.0–2.9
R (%) 23.8 24.0
Rfree (%) 30.1 30.9
Bond length deviation (RMSD) from ideal (Å) 0.009 0.006
Bond angle deviation (RMSD) from ideal (°) 1.08 0.907
Ramachadran plot statisticsb
 % of residues in most allowed regions 84.9 88.7
 % of residues in additional allowed regions 12.9 10.5
 % of residues in generously allowed regions 2.3 0.8
 % of residues in disallowed regions 0 (0 residues) 0 (0 residues)
a

Numbers in parentheses indicate the values in the highest-resolution shell.

b

Indicates Procheck statistics.36