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. Author manuscript; available in PMC: 2012 Jun 15.
Published in final edited form as: J Am Chem Soc. 2010 Oct 20;132(41):14590–14595. doi: 10.1021/ja105731x

Table 2.

Crystallographic data collection statistics.

pH 7.0 pH 9.0
Space Group C 2 2 21 C 2 2 21
A 48.86 48.41
B 54.24 55.03
C 94.23 94.58
α 90° 90°
β 90° 90°
γ 90° 90°
Resolution 19.28–2.10 Å 33.93–2.25 Å
Reflections 7238 (534) 5614 (404)
99.9% 94.1%
Completeness (99.8%) (89.8%)
Multiplicity 4.9 (5.0) 3.3 (3.3)
I/sigmaI 6.4 (2.1) 8.7 (5.7)
21.4% 21.6%
Rwork (23.8%) (21.7%)
26.5% 27.6%
Rfree (27.1%) (22.5%)
e.s.u. (work) 0.174 Å 0.218 Å
e.s.u. (free) 0.216 Å 0.278 Å
Baverage 34.733 Å2 43.827 Å2