Table 2. Data collection and refinement statistics.
| Crystal type | CGL1/MAN(S-SAD) | CGL1/FREE | CGL1/MAN | CGL1/MAN2 |
|---|---|---|---|---|
| Data collection and processing statistics | ||||
| X-ray source | Rigaku | Photon factory | Photon factory | Photon factory |
| Micromax007 | BL-17A | BL-17A | BL-17A | |
| Wavelength (Å) | 1.5418 | 0.9800 | 0.9800 | 0.9800 |
| Space group | P21 | P21 | P21 | P212121 |
| Unit cell dimension (Å) | ||||
| a (Å) | 39.5 | 39.6 | 39.7 | 57.3 |
| b (Å) | 58.7 | 58.7 | 58.8 | 57.9 |
| c (Å) | 108.3 | 107.9 | 108.5 | 80.4 |
| β (°) | 93.7 | 93.8 | 93.7 | 90.0 |
| Resolution (Å) | 30.85–1.50 | 50.0−1.10 | 50.0−1.1 | 23.5–1.00 |
| (1.58–1.50)a | (1.12−1.10) | (1.12−1.10) | (10.5–1.00) | |
| Total reflections | 1,238,131 | 709,916 | 624,618 | 1,001,962 |
| Unique reflections | 71,137 | 173,353 | 160,510 | 131,088 |
| I/σI | 46.7 (12.1) | 14.9 (2.8) | 17.0 (7.5) | 16.4 (3.2) |
| Redundancy | 17.4 (11.0) | 4.1 (4.7) | 3.9 (4.2) | 7.6 (4.6) |
| Completeness (%) | 89.7 (50.8) | 86.6 (99.0) | 79.6 (99.9) | 89.0 (53.0) |
| Rmergeb (%) | 3.9 (13.4) | 10.9 (50.3) | 9.6 (26.7) | 7.3 (30.3) |
| Refinement statistics | ||||
| Resolution | 30.9−1.10 | 17.87–1.10 | 22.4–1.00 | |
| Protein molecules per asymmetric unit | 4 | 4 | 2 | |
| Mannose molecules per asymmetric unit | 0 | 3 | 4 | |
| Protein atoms | 4360 | 4360 | 4328 | |
| Ligand atoms | 0 | 36 | 174 | |
| Water molecule | 698 | 711 | 486 | |
| B-factors | ||||
| Protein | 21.6 | 24.3 | 9.0 | |
| Ligand atoms | – | 30.2 | 9.8 | |
| Rwork/Rfree(%) | 16.7/22.0 | 16.4/22.2 | 12.3/14.5 | |
| Root mean square deviations | ||||
| Bond lengths (Å) | 0.026 | 0.028 | 0.023 | |
| Bond angles (°) | 2.289 | 2.447 | 2.053 | |
aThe values in parentheses correspond to the highest-resolution shell.
bRmerge = 100Σ|I − <I>|/Σ I, where I is the observed intensity and <I> is the average intensity of multiple observations of symmetry-related reflections.