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. Author manuscript; available in PMC: 2012 Feb 11.
Published in final edited form as: J Mol Biol. 2010 Nov 25;406(1):75–91. doi: 10.1016/j.jmb.2010.11.031

Table 2.

Crystallographic Data Collection and Refinement Statistics

graphic file with name nihms-256511-t0015.jpg graphic file with name nihms-256511-t0016.jpg
 PDB ID 3K7E 3NKF
Data collection statistics
 Wavelength (Å) 1.00 0.98
 Diffraction resolution (Å) 3.0-64.8 (3-3.16) 2.9-40 (2.90-2.96)
 Measured reflections (n) 57985 73593
 Unique reflections 20696 21645
 Completeness (%) 96.4 (97.3) 99.6 (99.9)
 Redundancy 2.8 (2.8) 3.4 (3.3)
 I/σ(I) 7.1 (2.0) 20.6 (2.9)
 Rmerge 0.139 (0.653) 0.085 (0.54)
 Space group P21 P21
 a (Å) 63.4 63.3
 b (Å) 90.9 90.8
 c (Å) 86.2 85.9
 α=γ (°) 90 90
 β (°) 91.5 91
Refinement statistics
 Atoms (n) 6527 6665
 Water (n) 61 27
 Rwork / Rfree (%) 0.218/0.259 0.216/0.27
 RMSD bond length (Å) 0.008 0.01
 RMSD bond angle (°) 1.097 1.23
 Average B-factor (Å2) 46.6 83.6
Ramachandran plot
 Core (%) 89.7 89.4
 Allowed (%) 8.9 10.5
 Generously allowed (%) 0.5 0.1
 Disallowed (%) 0.8 0

The numbers in parenthesis represent the data in the highest resolution bin.