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. 2011 Nov 7;108(46):18672-18677. doi: 10.1073/pnas.1110415108

Table 1.

Data collection and refinement statistics

Data collection
Crystal Native Se
Space group C2 C2
Unit cell dimensions a = 122.59 , b = 56.56 , c = 175.31 , β = 95.63° a = 122.18 , b = 56.49 , c = 174.85 , β = 95.95°
Wavelength (Å) 0.9795 0.9795
Resolution (Å) 25.0−2.1(2.18−2.10) 25.0−2.5(2.59−2.50)
Rsym(%) 5.3 (32.4) 8.6 (45.1)
I/σ 24.1 (3.6) 38.3 (9.2)
Completeness (%) 94.0 (99.3) 100.0 (100.0)
Redundancy 3.3 (3.1) 14.9 (14.6)
Refinement
Resolution (Å) 25.0−2.1
No. unique reflections 59538
Rwork/Rfree (%) 22.63/26.91
No. of protein atoms 8241
No. of waters 186
Average B (2) 52.88
Average B (protein) 52.99
Average B (water) 48.06
rmsd
Bond lengths (Å) 0.019
Bond angles (°) 1.62
Ramachandran plot
Allowed (% residues) 97.3
Generously allowed (% residues) 2.7
Disallowed (% residues) 0

Numbers in parentheses denote values in highest resolution bin.

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