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. 2013 Oct 8;21(10):1743–1756. doi: 10.1016/j.str.2013.08.004

Table 1.

NMR Structure Calculation Statistics

FUN-EGF3 (R45–E178) FUN-EGF1 (A53–C111) EGF2-EGF3 (C119–E178)
NOE-derived distance restraints
Total 2,599 1,559 1,040
Intraresidue 890 516 374
Interresidue 1,434 893 541
Sequential (| i-j | = 1) 571 340 231
Short-range (| i-j | < 5) 231 147 84
Long-range (| i-j | ≥ 5) 632 406 226
Ambiguous 275 150 125
Hydrogen bond restraints 30 18 12
Dihedral angle restraints
Total 137 69 68
φ 73 39 34
ψ 64 30 34
RDCs
1DNH 54 28 26
Total number of restraints 2,820 1,674 1,146
Restraint violations
Distance restraint violations > 0.5 Å 0 0 0
Dihedral angle violations > 5° 0 0 0
Rmsd from experimental restraints
Distance restraints (Å) 0.024 ± 0.001 0.025 ± 0.001 0.024 ± 0.003
Dihedral angle restraints (°) 0.338 ± 0.109 0.194 ± 0.141 0.408 ± 0.171
RDC restraints (Hz) 0.822 ± 0.074 0.755 ± 0.078 0.884 ± 0.110
Rmsd from idealized geometry
Bonds (Å) 0.004 ± 0.000 0.004 ± 0.000 0.003 ± 0.000
Angles (°) 0.513 ± 0.016 0.552 ± 0.016 0.501 ± 0.019
Impropers (°) 0.365 ± 0.007 0.417 ± 0.016 0.337 ± 0.015
Ramachandran plot
Residues in most favored regions (%) 80.5 81.8 81.9
Residues in additional allowed regions (%) 16.0 18.1 13.4
Residues in generously allowed regions (%) 1.6 0.1 1.7
Residues in disallowed regions (%) 1.9 0.0 3.0
Coordinate precision (rmsd; Å)
Backbone N/A 0.586 ± 0.196 1.166 ± 0.288
Heavy atom N/A 0.916 ± 0.246 1.820 ± 0.305

Statistics are given for full-length FUN-EGF3 and separately for the two domain pairs. Quality statistics were calculated using Xplor-NIH. Restraint violations and rmsd values are given as mean values per structure ± the SD. Ramachandran statistics were calculated using Procheck (Laskowski et al., 1996). N/A, not applicable.