Table 1.
Summary of crystallographic information
| NanPs free enzyme | NanA free enzyme | NanA in complex with DANA | NanA in complex with NANA | |
|---|---|---|---|---|
| Resolution range (Å) | 30-1.6 | 30-1.7 | 30-1.7 | 30-1.7 |
| Number of observations | 377,554 | 636,912 | 279,534 | 251,113 |
| Rmerge (%)a | 8.8 (36.5) | 4.1 (9.4) | 3.0 (7.3) | 6.0 (14.2) |
| I/σI | 26.2 (4.9) | 38.8 (10.7) | 31.1 (11.5) | 25.3 (6.6) |
| Redundancy | 4.3 (3.9) | 3.4 (3.2) | 3.0 (2.5) | 2.8 (2.5) |
| Number of reflections | 85,363 | 183,283 | 93,563 | 86,772 |
| Completeness (%) | 96 (91) | 92 (90) | 93 (86) | 87 (70) |
| R factor (%) | 17.2 (21.7) | 17.2 (20.4) | 17.8 (20.5) | 17.5 (20.8) |
| Free R factor (%) | 19.1 (23.7) | 19.8 (23.4) | 20.9 (24.7) | 20.9 (24.8) |
| Residues in most favored region of the Ramachandran plot (%) | 86 | 86 | 86 | 86 |
| rmsd in bond lengths (Å) | 0.005 | 0.005 | 0.007 | 0.005 |
| rmsd in bond angles (°) | 1.4 | 1.4 | 1.3 | 1.4 |
a
The numbers in parenthesis are for the highest resolution shell.