Table 1. Data-collection and refinement statistics for hMICAL3FMOCH .
Data collection | |
Wavelength (Å) | 0.9794 |
Space group | P21 |
a, b, c (Å) | 65.211, 93.466, 71.568 |
α, β, γ (°) | 90, 92.366, 90 |
Resolution range (Å) | 47.2–2.30 (2.38–2.30) |
Completeness (%) | 99.7 (99.8) |
R sym † (%) | 0.143 (0.48) |
I/σ(I) | 16.89 (2.72) |
Redundancy | 4.85 (4.8) |
Total reflections | 38165 |
Refinement statistics | |
Resolution range (Å) | 47.2–2.30 (2.38–2.30) |
Unique reflections | 3817 |
R work (%) | 17.2 (19.6) |
R free (%) | 21.5 (24.6) |
R.m.s. deviations | |
Bond lengths (Å) | 0.009 |
Bond angles (°) | 0.097 |
Ramachandran favored (%) | 97.9 |
Ramachandran outliers (%) | 0 |
R sym = , where I i(hkl) is the observed intensity of reflection i, 〈I(hkl)〉 is the average intensity and i counts through all symmetry-related reflections.