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. Author manuscript; available in PMC: 2013 Nov 21.
Published in final edited form as: Biochemistry. 2012 Jul 25;51(31):10.1021/bi300511w. doi: 10.1021/bi300511w

Table 1.

Crystal and Data Collection Statisticsa

with Pi with IMP with XMP
space group I4 I4 I4
unit cell parameters (Å) a = 123.03, c = 140.72 a = 122.52, c = 140.90 a = 123.25, c = 141.64
no. of residues/protein 511 511 511
no. of molecules/asymmetric unit 2 2 2
no. of SeMet molecules/asymmetric unit 17 17 17
wavelength (Å) 0.97940 0.97939 0.97918
resolution limit (Å) 2.60 (2.60–2.64) 2.38 (2.38–2.42) 2.65 (2.65–2.70)
no. of observed unique reflections 31165 (1554) 41552 (2105) 30553 (1502)
data completeness (%) 97.0 (98.4) 99.9 (100) 99.9 (100)
〈I/σ(I)〉 10.6 (2.6) 12.9 (3.3) 10.4 (3.2)
redundancy 5.6 (5.6) 10.0 (9.6) 9.1 (9.2)
Rmerge b 0.095 (0.725) 0.070 (0.776) 0.094 (0.735)
a

Numbers in parentheses are values for the highest-resolution bin.

b

Rmerge = Σhkl Σi|Ii(hkl) − 〈I(hkl)〉|/Σhkl Σi|〈Ii(hkl)〉|, where Ii(hkl) is the intensity for the ith measurement of an equivalent reflection with indices h, k, and l.