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. 2012 Nov 6;24(11):4525–4538. doi: 10.1105/tpc.112.102921

Table 1. Crystallographic Statistics.

GH3-1•AIEP
GH3-1•AIEP Pt-Derivative
Space Group P41212 Space Group P41212
Cell (a = b × c) 91.17 × 338.07 Cell (a = b × c) 91.60 × 339.04
Resolution (Å) 2.40 Resolution (Å) 2.88
Completeness (%) 99.9 (100) Completeness (%) 100 (100)
Rmerge (%) 12.6 (71.6) Rmerge (%) 10.8 (64.9)
Mean I/sigI 16.7 (4.0) Mean I/sigI 20.0 (5.1)
No. of unique reflections 54,126 No. of unique reflections 33,925
Multiplicity 14.1 Multiplicity 13.0
Rwork (%) 22.4 Anomalous completeness 100
Rfree (%) 26.4 Anomalous multiplicity 6.9
No. of protein atoms 9,096 RCR anomalous (overall) 1.56
No. of waters 150 Wavelength (Å) 1.0113
No. of ligand atoms 66
Mean B value overall (Å2) 34.5
Mean B value inhibitor (Å2) 21.7
Mean B value N terminus (Å2) 30.9
Mean B value C terminus (Å2) 46.0
Ramachandran analysis (%) preferred/ allowed/ outliers 97.2/ 2.7/ 0.2
Protein Data Bank code 4B2G

Values in parentheses are for the high-resolution bin.