TABLE 2.
Refinement statistics for the SeMet BlaI and BlaI-DNA crystals
| Crystal parameter | Valuea for:
|
|
|---|---|---|
| SeMet BlaI | BlaI-DNA | |
| Resolution limits (Å) | 30-2.0 (2.05-2.00) | 30-2.7 (2.8-2.7) |
| No. of reflectionsb | 19,686 (1,414) | 9,023 (822) |
| R for 95% working data set | 0.203 (0.277) | 0.230 (0.405) |
| Rfree for 5% test data set | 0.237 (0.380) | 0.282 (0.528) |
| RMSD from ideal geometry | ||
| Bond lengths (Å) | 0.017 | 0.016 |
| Bond angles (°) | 1.4 | 1.7 |
| Average B values (Å2)/no. of atoms | ||
| Protein atoms | 33.6/2,036 | 52.1/1,042 |
| Sulfate/DNA atoms | 70.5/20 (sulfate) | 52.9/328 (DNA) |
| Water atoms | 49.1/225 | 61.6/181 |
| Ramachandran plot, % of residues: | ||
| In most favored regions | 91.4 | 81.8 |
| In additional allowed | 8.1 | 17.4 |
| Estimated coordinate errors (Å) | 0.19 | 0.36 |
a
Numbers in parentheses refer to the outermost resolution bins.
b
All reflections were used in the refinements.