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. 2018 Sep 11;293(43):16803–16817. doi: 10.1074/jbc.RA118.004821

Table 1.

Structural statistics for the NMR assignments and solution structures of the apo and Zn2+-bound monomeric CARD9–CARD

Apo CARD Zn2+-bound CARD
PDB code 6E26 6E25
BMRB code 30492 30491
Assignments (%)a 89 (97) 81 (77)
    1H 91 (97) 90 (97)
    13C 91 (98) 72 (49)
    15N 76 (96) 75 (95)
NOE restraints 1509 1592
    Intra-residue (i = j) 423 407
    Sequential (|ij| = 1) 410 421
    Medium range (|ij| <5) 395 444
    Long range (|ij| ≥5) 281 320
NOE constraints per restrained residueb 15.9 16.8
Hydrogen bond constraints 66 60
    Long range (|ij| ≥5) 0 0
Dihedral angle constraints 140 140
Total no. of restricting constraints 1715 1792
Restricting constraints per restrained residueb 18.1 18.9
    Long range (|ij| ≥5) 3.0 3.4
Total structures computed 100 100
No. of structures included 20 20
Distance violations per structure
    0.1–0.2 Å 9.0 6.4
    0.2–0.5 Å 2.0 1.25
    >0.5 Å 0 0
RMS of distance violation/constraint (Å) 0.02 0.02
Maximum distance violation (Å) 0.47 0.46
Dihedral angle violations per structure
    1–10° 4.1 2.55
    >10° 0 0
RMS of dihedral angle violation per constraint (°) 0.52 0.33
Maximum dihedral angle violation (°) 7.1 4.6
RMSDc
    Backbone 0.7 (1.8) 0.5 (1.5)
    Heavy atoms 1.2 (2.2) 1.0 (1.9)
Ramachandrand
    Most favored (%) 93.6 94.9
    Additionally allowed (%) 6.4 5.0
    Generously allowed (%) 0 0.1
    Disallowed 0 0

a Total assignment completeness, with backbone completeness reported in parentheses.

b Residues 3–97 contain conformational restraining constraints.

c Residues 10–97 reported, with all-residue RMSDs reported in parentheses.

d Residues 10–97, calculated with Procheck.