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. Author manuscript; available in PMC: 2012 Mar 1.
Published in final edited form as: Biochimie. 2010 Dec 7;93(3):570–582. doi: 10.1016/j.biochi.2010.11.015

Table 2.

Model refinement statistics

Resolution (Å) 37.2-2.00
Rwork 0.168
Rfree 0.209
No. reflections; refinement/test set 40,320/2,141
RMSD bonds (Å) 0.01
RMSD angles (°) 1.2
No. atoms (protein/ligand+metal/solvent) 4,283/82/221
Residues in favored regions (%)a 98.1
Residues in allowed regions (%)a 100
TLS groups (residues)b 207-325, 326-377, 378-469, 470-601, 602-736
Mean Biso + BTLS protein atoms (Å2) 38.1
Mean Biso ligand+metal atoms (Å2) 40.2
Mean Biso solvent atoms (Å2) 24.2
PDBID 3KFL
a

Determined using the MolProbity Server [47].

b

Selected with the aid of the TLSMD server [46].