TABLE 1.
Apo-ViuP | Holo-ViuP | |
---|---|---|
Data collection | ||
Space group | C2 | C2 |
Cell dimensions | a = 76.93, b = 61.07, c = 66.85 Å; α = 90.00°, β = 120.56°, γ = 90.00° | a = 82.50, b = 55.55, c = 69.54 Å; α = 90.00°, β = 117.02°, γ = 90.00° |
Resolution (Å) | 50-1.79 (1.85-1.79)a | 50-1.45 (1.50-1.45) |
Completeness (%) | 98.7 (88.2) | 97.6 (88.0) |
Redundancy | 3.7 (3.3) | 3.5 (2.5) |
I/σ(I) | 27.56 (3.98) | 18 (3.16) |
Rsym (%)b | 5.0 (25.1) | 6.0 (31.5) |
Refinement | ||
Resolution | 33.12-1.79 | 24.6-1.45 |
Rwork/Rfree (%) | 0.177/0.213 | 0.182/0.209 |
r.m.s.d.c | ||
Bond lengths (Å) | 0.007 | 0.007 |
Bond angles | 1.0° | 1.2° |
Ramachandran plot (%)d | ||
Most favored (%) | 94.1 | 92.1 |
Additionally allowed (%) | 5.9 | 7.9 |
Generously allowed (%) | 0 | 0 |
Disallowed (%) | 0 | 0 |
a Values in parentheses are for reflections in the highest resolution shell.
b Rsym = ΣhklΣi|I(hkl)i − 〈I(hkl)〉|/ΣhklΣI〈I(hkl)i〉 over i observations.
c r.m.s.d., root mean square deviation.
d As defined in PROCHECK.