TABLE 1.
Data collection and refinement statistics for the Ig5-FN1 domains of NCAM
| Data collection | |
| X-ray source | SERCAT BM-22 |
| Wavelength (Å) | 1.0 |
| Unit cell (Å) | a = 77.09 |
| b = 155.84 | |
| c = 71.75 | |
| Space group | C2221 |
| No. molecules/a.u. | 2 |
| Resolution (Å) | 30-1.79 |
| Measured reflections | 190,962 |
| Unique reflections | 40,353 |
| Completeness (%)a | 98.7 (96.3) |
| I/σIa | 14.9 (6.1) |
| Rsyma (%) | 9.5 (58.5) |
| Refinement | |
| Resolution (Å) | 30-1.80 |
| No. reflections (working/free) | 35,851/4,060 |
| Rcryst (%) | 18.3 |
| Rfree (%) | 23.0 |
| No. protein atoms/sulfates/waters | 3,018/1/340 |
| Root mean square deviation from ideal geometry | |
| Bond length (Å) | 0.014 |
| Angle distances (°) | 1.567 |
| Estimated coordinated error (Å) | 0.132 |
| Ramachandran plot statistics | |
| Residues in most favored regions | 91.4% |
| Residues in allowed regions | 8.3% |
| Residues in generously allowed regions | 0.3% |
| Residues in disallowed regions | 0.0% |
a Last shell (1.90-1.79 Å) is in parentheses.