TABLE 5.
Data collection and refinement statistics
| Parameters | Native | 103S_EGCase I-GM1 | 103S_EGCase I-GM3 |
|---|---|---|---|
| Data collection | |||
| Space group | C121 | C121 | C121 |
| Cell dimensions | |||
| a, b, c (Å) | 192.84, 48.98, 120.30 | 192.28, 48.92, 120.23 | 192.52, 49.05, 120.14 |
| α, β, γ (degrees) | 90.00, 114.30, 90.00 | 90.00, 113.95, 90.00 | 90.00, 114.19, 90.00 |
| Wavelength (Å) | 0.979 | 0.979 | 0.979 |
| Resolution (Å) | 50–2.11 (2.18–2.11)a | 50–2.15 (2.23–2.15) | 50–1.915 (1.97–1.915) |
| Rmerge | 0.127 (0.493) | 0.118 (0.486) | 0.123 (0.425) |
| I/σ(I) | 10.09 (3.10) | 14.7 (5.11) | 11.03 (4.19) |
| No. of unique observations | 58,536 (5742) | 55,310 (5441) | 79,432 (5959) |
| No. of total observations | 59,788 | 55,996 | 79,632 |
| Completeness (%) | 98.4 (97.5) | 99.2 (98.6) | 97.4 (74.2) |
| Redundancy | 4.2 (4.3) | 4.2 (4.1) | 4.2 (4.0) |
| Refinement | |||
| Rwork/Rfree (%) | 0.194/0.223 | 0.176/0.209 | 0.172/0.208 |
| B-factors (Å2) | |||
| Protein | 21.8 | 24.9 | 12.74 |
| Ligand | 33.9 | 27.9 | 22.39 |
| Water | 31.4 | 31.0 | 21 |
| r.m.s.d. | |||
| Bond lengths (Å) | 0.005 | 0.009 | 0.0109 |
| Bond angles (degrees) | 1.073 | 1.458 | 1.479 |
| PDB entry | 5CCU | 5J7Z | 5J14 |
a Data for the highest resolution shell are shown in parentheses.