. Author manuscript; available in PMC: 2011 May 25.

Published in final edited form as: Biochemistry. 2010 May 25;49(20):4374–4382. doi: 10.1021/bi100252s

Table 1.

Data collection and refinement statistics.

Data collection statistics:
Wavelength (Å)	0.9792
Resolution (Å)	50-2.7
Space group	P3₁21
Unit Cell dimensions	a = 88.9, b = 88.9, c = 161.9, α = β = 90°, γ = 120°
Diffraction protocol	Single wavelength anomalous dispersion
Molecules /asymmetric unit	1
Redundancy (overall/outermost shell)	19 (10.5)
I/σ (I)	11.1(2.5)
outermost shell (Å)	2.8 – 2.7
R_merge (overall/outmost shell)	0.07 (0.30)
Completeness (%) (overall/outmost shell)	94.4 (63)
Number of Reflections	19968
Refinement statistics:
Resolution range (Å)	50-2.7
Number of reflections	19173
Completeness (working + test) (%)	91.6
R_factor	0.23
R_free	0.28
Number of protein atoms	3194
Number of zinc ions	1
Number of water molecules	85
B Values
from Wilson plot (Å²)	39.2
mean B value (overall, Å²)	58.4
r.m.s.d. bonds (Å)	0.009
r.m.s.d. angles (°)	1.6
Ramachandran plot analysis:
Most favored region (additionally allowed) (%)	82.5(16.1)
Generously allowed region (disallowed) (%)	1.1(0.3)