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. Author manuscript; available in PMC: 2013 Mar 16.

Published in final edited form as: ACS Chem Biol. 2012 Jan 17;7(3):506–517. doi: 10.1021/cb200440y

Table 2.

Crystallographic statistics for the A3G-191-384-2K3A (MN30 + CYS308) and A3G191-380-2K2A (apo) crystal structures.

	A3G191-384-2K3A (MN30 bound)	A3G191-380-2K2A (apo)
PDB ID	----	----
Resolution	2.04 Å	1.38 Å
Temperature	Cryogenic (-80° C)	Cryogenic (-80° C)
Space group	P12₁1	P2₁2₁2₁
Cell dimensions :
a	53.08 Å	68.19 Å
b	67.76 Å	72.17 Å
c	64.47 Å	96.81 Å
α	90.0°	90.0°
β	107.38°	90.0°
γ	90.0°	90.0°
Molecules in AU	2	2
Completeness	96.5% (94.3%) (Last shell 2.04 – 2.11)	93.7% (92.6%) (Last shell 1.38 – 1.41)
Total reflections	26969	280403
Unique reflections	28034 25587 (working)	99113 86726 (working)
I/σ	13.6	12.3
Ave. redundancy	5.0	3.0
Rmerge	5.6%	4.8%
RMSD in:		3.3%
Bonds	0.0096 Å	0.0095 Å
Angles	1.337°	1.409°
Rfactor %	23.11	18.26
Rfree %	28.37	21.47