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. Author manuscript; available in PMC: 2014 Oct 8.
Published in final edited form as: Structure. 2013 Aug 29;21(10):10.1016/j.str.2013.07.014. doi: 10.1016/j.str.2013.07.014

Table 1.

Summary of NMR structure statistics and restraints for the hGlyR-α1 TM domain in LPPG micelles. See also Figures S3, S4, and S5.

NMR Distance & Dihedral Restraints Monomer Pentamer
Distance restraints
 Total NOE 1014 1014 × 5
 Intra-residue 321 321 × 5
 Inter-residue 693 693 × 5
  Sequential (|i-j| = 1) 348 348 × 5
  Medium-range (|i-j| ≤ 4) 324 324 × 5
  Long-range (|i-j| > 4) 21 21 × 5
 Hydrogen bonds 106 106 × 5
Total dihedral angle restraints 152 154 × 5
 Phi 76 77 × 5
 Psi 76 77 × 5
PRE restraints 219 226 × 5
 Upper 107 114 × 5
 Lower 112 112 × 5
Inter-subunit distance restraints from EM and RDCa
 Total constraints 600
  Upper 300
  Lower 300

Structure Statistics

Violations (mean and s.d.)
 Upper distance restraints (Å) 0.0075 ± 0.0008 0.0157 ± 0.0010
 Lower distance restraints (Å) 0.0016 ± 0.0010 0.0102 ± 0.0012
 Dihedral angle restraints (°) 0.130 ± 0.010 0.338 ± 0.028
 Max. dihedral angle violation (°) 1.29 3.32
 Max. distance restraint violation (Å) 0.24 0.63
Average pairwise r.m.s.d.b (Å)
 Heavy 1.04 ± 0.11c 0.91 ± 0.14c
2.27 ± 0.25d 1.50 ± 0.36d
 Backbone 0.67 ± 0.13c 0.50 ± 0.17c
1.66 ± 0.18d 0.95 ± 0.30d
Ramachandran Plot
 Residues in most favored regions 88.6% 86.3%
 Residues in allowed regions 11.3% 13.0%
 Residues in disallowed regions 0.1% 0.7%

PDB code 2M6B 2M6I
a

RDC values used to generate pentamer restraints were obtained from the previous study (Canlas et al., 2008).

b

The rmsd to the average coordinates was calculated from 15 structures.

c

Calculated over the helical TM regions (residues 220-241, 250-270, 289-305, 398-421)

d

Calculated over residues 215-425