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. 2013 Jul 4;8(7):e67962. doi: 10.1371/journal.pone.0067962

Table 4. Crystallographic data and refinement statistics.

Data collection
Space group P21212
Unit cell lengths (Ål) a = 66.7, b = 164.6, c = 90.6
Resolution (Ål) 20–3.2
Rmergea 11.5 (58.7) b
% completenessa 97.1 (90.4) b
I/sigma (I) averagea 20.13 (4.14) b
No. of unique reflectionsa 16636 (685) b
Redundancya 15.5 (16.1) b
Refinement
Resolution (Ål) 20–3.2
R work 0.208 (0.259) c
R free 0.269 (0.349) c
Root mean square deviation χ2 bonds (Å) 0.006
Root mean square deviation χ2 angles (°) 1.16
Residues in Ramachandran favoured region d 670 (91.9%)
Residues in Ramachandran allowed region d 39 (5.3%)
Residues in Ramachandran outlier region d 20 (2.7%)
a

Statistics on a merged dataset resulting from 4 crystals collected at ID14-eh2, ID29, ID14-eh1, BM14, ESRF, Grenoble.

b

Statistics for the high-resolution bin (3.25–3.20 Å) are in parentheses.

c

Statistics for the high-resolution bin (3.28–3.20 Å) are in parentheses.

d

Including prolines and glycines – Statistics provided by RAMPAGE [65].