Table 1.
Data Collection and Crystal Parametersa | |
Space group | P21 |
Cell dimensions | |
a, b, c (Å) | 68.9, 68.1, 97.3 |
α, β, γ (°) | 90, 107.7, 90 |
Wavelength (Å) | 1.0332 |
Resolution (Å) | 50–2.24 (2.28–2.24)b |
Rmerge (%)c | 6.5 (30.5) |
I/σI | 17.0 (2.7) |
Multiplicity | 3.5 (2.5) |
Refinement | |
Resolution (Å) | 38.8–2.24 (2.30–2.24) |
Rwork/Rfree (%)d | 21.0/25.5 (31.1/42.3) |
Rmsd bond lengths (Å) | 0.002 |
Rmsd bond angles (°) | 0.579 |
PDB ID= 3RKP
Values for the highest resolution shell are shown in parentheses.
Rmerge= Σ|Ihkl - <Ihkl>|/ ΣIhkl, where I is the observed intensity for reflection hkl, and <I> is the mean intensity.
Rwork= Σ||Fo(hkl)|-|Fc(hkl)||/Σ|Fo(hkl)|; Rfree is calculated in the same way with 5% of reflections excluded from refinement.