TABLE 1.
Beamline | SSRL |
---|---|
Wavelength, Å | 1.000 |
| |
Resolution, Å | 28.855 - 1.767 |
| |
Space group | P1 |
| |
Temperature, K | 100 |
| |
Detector | Mar325 CCD |
| |
Unit Cell parameters | a = 40.838, b = 64.471, c = 72.111Å α = 73.83, β = 82.72, γ = 83.76° |
| |
Solvent content (%) | 43.87 |
| |
Unique reflections | 59,193 |
| |
I/σ(I) | 23.3 (2.03)a |
| |
Average redundancy | 1.8 (1.6) |
| |
Data completeness (%) | 91.8 (80.8) |
| |
Mosacity (%) | 2.0 |
| |
Rmerge (%) | 0.035 (0.347) |
| |
Refinement: | |
R factor (%) | 21.8 |
Rfree (%)b | 28.3 |
Rmsd bond distance, Å | 0.019 |
Rmsd bond angle, ° | 2.08 |
Average B factors, Å2 | 35.3 |
| |
Ramachandran Plot: | |
Core, % | 90.3 |
Disallowed | 0.8 |
| |
No. of protein atoms | 5,648 |
| |
No. of solvent atoms | 381 |
| |
PDB code | 3F1V |
Values in parentheses refer to highest resolution shell 1.83-1.77 Å.
Rfree is calculated the same way as R factor for data omitted from refinement (5% of reflections for all data).