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. 2013 Dec 11;289(5):3055–3065. doi: 10.1074/jbc.M113.531053

TABLE 2.

Structural statistics for the solution structure of TePixJ GAF domain as Pg

Restraints and structural statistics r.m.s.d.
〈Saa Lowest energy
Experimental 1H-1H distance restraints
    GAF domain (Å) (2444)
        Intraresidue (879) 0.182 ± 0.004 0.182
        Sequential |ij| = 1 (599) 0.083 ± 0.004 0.079
        Short range 1 < |ij| ≤ 5 (468) 0.116 ± 0.010 0.119
        Long range |ij| > 5 (498) 0.113 ± 0.008 0.111
    PVB (Å) (62)
        Intraresidue (22) 0.486 ± 0.030 0.471
        Sequential |ij| = 1 (3) 0.0 ± 0.0 0.0
        Short range 1 < |ij| ≤ 5 (9) 0.130 ± 0.022 0.134
        Long range |ij| > 5 (28) 0.152 ± 0.048 0.115

Hydrogen bonds (Å) (140) 0.082 ± 0.005 0.083

Predicted dihedral restraints (°) (272)
    ϕ (136)/ψ (136) 2.16 ± 0.08 2.19

Residual dipolar couplings (Hz) (201)
    1DNH Pf1 (109) Rb = 10.2% 1.30 ± 0.04 1.44
    1DCαHα Pf1 (92) Rc = 23.2% 3.04 ± 0.06 3.00

Deviations from idealized covalent geometry
    Bonds (Å) (2742) 0.0014 ± 0.0001 0.0014
    Angles (°) (4954) 0.373 ± 0.002 0.370
    Impropers (°) (1496) 0.79 ± 0.01 0.78

Coordinate precisiond
    Backbone (N, Cα, C') 0.33 ± 0.12 0.29
    All non-hydrogen atoms 0.73 ± 0.10 0.63

a 〈Sa〉 represents the 10 lowest-energy structures. For 〈Sa〉, each value represents the mean ± S.D. with the number of restraints used to calculate these values shown in parentheses.

b R factor is defined as in XPLOR-NIH (28).

c R and r.m.s.d. of CαHα RDCs are scaled to NH.

d Average r.m.s.d. of the 10 lowest energy structures from the mean coordinates for structured residues 12–50, 72–83, and 94–148.