Table 1.
| |
Data collection and phasing
| |
Crystal symmetry | P212121 |
Unit cell | a= 74.4 |
b= 72.5 | |
c= 96.1 | |
α=β=γ=90° | |
Resolution (Å) | 50−2.0 |
Completeness (%) | 97.1 (79.6) |
Multiplicity | 3.6 (1.9) |
Rmerge (%)a | 3.4 |
‹I/σI› | 30.1 (7.0) |
Mosaicity (°) | 0.299 |
| |
Refinement
| |
Resolution (Å) | 50−2 |
Reflections | 34,740 |
Rcrystb / Rfree (%) | 18.9/ 24.9 |
Rms Δ bondsc (Å) | 0.013 |
Rms Δ anglesc (°) | 1.5 |
Average B-factor (Å2) | 14.4 |
Main-chain dihedral angles (%) | |
Most favored | 90.8 |
Allowed | 9.2 |
Parentheses denote values for the highest resolution shell.
; I, intensity.
; Fo, observed structure-factor amplitude; Fcalc, calculated structure-factor amplitude.
Root mean square deviations from ideal values.