Table II.
Parameters | |
---|---|
Data collection statistics | |
Cell parameters | a = 51.4 Å, b = 51.3 Å, c = 51.4 Å |
α = 112.2°, β = 112.0°, γ = 104.4° | |
Space group | P1 |
Wavelength used (Å) | 1.5418 |
Resolution (Å) | 50.0 (2.5)a – 2.4 |
No. of all reflections | 44,600 |
No. of unique reflections | 15,252 |
Completeness (%) | 96.0 (88.1) |
Average I/σ(I) | 27.3 (5.2) |
Rmergeb (%) | 5.1 (19.0) |
Refinement statistics | |
No. of reflections used (σ(F) > 0) | 14,727 |
Rworkc (%) | 20.8 |
Rfreec (%) | 24.3 |
No. of protein residues | 402 |
No. of protein atoms | 3162 |
No. of solvent molecules | 60 |
RMSD bond distance (Å) | 0.007 |
RMSD bond angle (°) | 1.322 |
Average B-value (Å2) | 40.2 |
Ramachandran plot statistics | |
Residues in most favored regions | 91.9% |
Residues in additionally allowed regions | 7.8% |
Residues in generously allowed regions | 0.3% |
Numbers in parentheses are corresponding values for the highest resolution shell.
Rmerge = ΣhΣl | Iih − <Ih> |/ΣhΣI <Ih>, where <Ih> is the mean of the observations Iih of reflection h.
Rwork = Σ(||Fp(obs)| − |Fp(calc)||)/ Σ|Fp(obs)|; Rfree = R factor for a selected subset (5%) of the reflections that was not included in prior refinement calculations.