Table 4. X-ray data collection and model refinement statistics for CBM32-4 and CBM32-6.
| Data collection statistics | CBM32-4Seleno-Methionine | CBM32-4glcNAc-α-1,4-gal | CBM32-6Seleno-Methionine |
| Wavelength | 0.9796 | 1.5418 | 0.9790 |
| Beamline | NSLS X8C | MM-002 | SSRL BL9-2 |
| Space group | P43212 | P21212 | P43 |
| Resolution | 20.00-1.55 (1.64-1.55) | 20.00-2.80 (2.87-2.80) | 30.00-1.55 (1.63-1.55) |
| Cell dimensionα, β, γ (Å) | 53.20, 53.20, 110.6090.0, 90.0, 90.0 | 90.0, 90.0, 90.089.71, 49.89, 63.17 | 90.0, 90.0, 90.048.81, 48.81, 98.18 |
| Rmerge | 0.107 (0.403) | 0.143 (0.329) | 0.048 (0.377) |
| Completeness (%) | 99.9 (99.8) | 93.4 (90.5) | 100.0 (100.0) |
| <I/σI> | 18.9 (7.6) | 5.6 (2.5) | 30.6 (7.6) |
| Redundancy | 16.3 (16.6) | 3.6 (3.8) | 15.2 (15.2) |
| Total reflections | 389006 | 25312 | 505862 |
| Unique reflections | 23846 | 6965 | 33325 |
| Refinement statistics | |||
| R (%) | 12.8 | 28.6 | 19.6 |
| Rfree (%) | 17.3 | 31.8 | 23.9 |
| RMSD | |||
| Bond lengths (Å) | 0.018 | 0.006 | 0.011 |
| Bond angles (°) | 1.649 | 1.053 | 1.294 |
| Average B-factors (Å2) | |||
| Protein Chain A | 11.1 | 24.9 | 22.7 |
| Protein Chain B | N/A | 19.6 | 29.6 |
| Water molecules | 30.7 | 23.7 | 32.5 |
| Ligand | N/A | 69.5 (A); 33.1 (B) | N/A |
| Number of atoms | |||
| Protein atoms Chain A | 1064 | 1097 | 1017 |
| Protein atoms Chain B | N/A | 1103 | 982 |
| Water molecules | 261 | 111 | 174 |
| Ligand | N/A | 52 | N/A |
| Ramachandran statistics | |||
| Most favored (%) | 95.7 | 92.6 | 96.9 |
| Additional allowed (%) | 4.3 | 6.3 | 1.3 |
| Disallowed (%) | 0 | 1.1 | 1.8 |