TABLE 1.
Statistics of crystallographic analysis
Data collection | |
Space group | P21 |
Unit cell (Å) | a = 50.640 b = 155.568 c = 97.374 β = 94.70 |
Resolution (Å) | 50-1.95 |
Completeness | 96.1 (92.4)a |
Redundancy | 6.5 (5.2) |
I/σ(I) | 20.4 (3.6) |
Rsymb(%) | 10.3 (44.8) |
Refinement | |
Resolution | 50-1.95 |
Rwork/Rfreec(%) | 17.03/20.57 |
R.m.s. deviations | |
Bond lengths (Å) | 0.008 |
Bond angles (°) | 1.106 |
Ramachandran plot (%)d | |
Most favored (%) | 91.7 |
Additionally allowed (%) | 7.8 |
Generously allowed | 0.5 |
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 Value of Rfree for 1.91% of randomly selected reflections excluded from refinement.
d As defined in PROCHECK.