Table 2.
Refinement statistics.
| Alpha-11 giardin (Apo) | Ca2+-bound Alpha-11 giardin | |
|---|---|---|
| Refinement | ||
| Resolution range (Å) | 42.72–1.10 | 40.00–2.93 |
| Number of reflections (working set/test set) | 126,647/6,722 | 27,068/3,012 |
| Rwork/Rfreea,b (%) | 19.5/22.5 | 26.3/30.7 |
| Average B factor (Å2) | 13.8 | 49.6 |
| Ramachandran plotc | ||
| Most favorable regions (%) | 94.7 | 86.5 |
| Additionally allowed regions (%) | 5.3 | 12.3 |
| Generously allowed regions (%) | 0.0 | 1.1 |
| Disallowed regions (%) | 0.0 | 0.0 |
| R.m.s. deviations from ideality | ||
| Bond lengths (Å) | 0.010 | 0.010 |
| Bond angles (º) | 1.256 | 1.426 |
| Model details | ||
| Protein residues/waters | 304/620 | 1,208/111 |
| No. of protein atoms | 3,150 | 9,819 |
| No. of calcium ions | 0 | 4 |
| No. of sulfate ions | 2 | 0 |
a
Rwork= Σ|Fobs−Fcalc|/(Σ|Fobs|).
b
The Rfree is the R-factor based on 5%–10% of the data excluded from refinement.
c
Determined by PROCHECK39