TABLE 1.
Crystal parameters and data processing statistics
| apo FaeGntd/dsc variant aba | FaeGntd/dsc variant ad with lactosea | |
|---|---|---|
| Wavelength | 0.98 | 0.98 |
| Beamline | Soleil - PROXIMA 1 | Soleil - PROXIMA 1 |
| Space group | P 1 21 1 | P 41 21 2 |
| a, b, c (Å ) | 53.6, 49.0, 54.5 | 93.2, 93.2, 111.1 0 |
| α, β, γ (°) | 90, 109.2, 90 | 90, 90, 90 |
| Resolution (Å) | 49.0-1.5 (1.58-1.5) | 47.67-2.3 (2.42-2.3) |
| No. of unique reflections | 41977 (5568) | 22359 (3192) |
| CC(1/2) | 99.8 (89.9) | 99.9 (75.4) |
| Rmeasb (%) | 5.1 (37.2) | 8.0 (97.8) |
| Average I/σI | 13.8 (2.8) | 19.9 (2.1) |
| Completeness (%) | 97.9 (89.1) | 99.9 (100) |
| Multiplicity | 3.1 (2.4) | 8.7 (8.8) |
| Wilson B-factor | 14.8 | 35.3 |
| Rwork/Rfreec,d (%) | 17.5 (21.4) | 19.2/23.0 |
| Average B-factor (Å2) | 15.2 | 32.7 |
| r.m.s.e deviations | ||
| Bond lengths (Å ) | 0.021 | 0.018 |
| Bond angles (°) | 2.058 | 1.942 |
| No. of atoms (except hydrogen) | 2238 | 2052 |
| Protein | 1949 | 1921 |
| Glycan | NAf | 23 |
| Water | 289 | 108 |
| Residues in allowed regions (% of Ramachandran plot) | 99.6 | 99.6 |
| PDB entry | 4WE2 | 4WEI |
a Statistics for outer resolution shell are given in parentheses.
b Rmeas = Σh (nh/nh − 1) Σl |Ihl − 〈Ih〉|/Σh Σl 〈Ih〉, where nh = the number of observations for reflection h, Ihl = the intensity for observation l of reflection h, and 〈Ih〉 = the average intensity for reflection h.
c Rwork = Σhkl ‖Fobs | − |Fcalc ‖/Σhkl |Fobs |.
d Rfree is defined as above but calculated for 5% of randomly chosen reflections that were excluded from the refinement.
e r.m.s., root mean square.
f NA, not applicable.