Table 1.
Crystal parameters and data processing statistics
| Complex | FaeG ac -V1 | FaeG ac -V2 | FaeG ad -V3 |
|---|---|---|---|
| Wavelength | 0.98 | 0.98 | 0.98 |
| Beamline | Soleil - Proxima 1 | Soleil - Proxima 1 | Diamond - IO3 |
| Space group | P 3 2 1 | P 3 2 1 | P 2 21 21 |
| a, b, c (Å ) | 145.5, 145.5, 38.9 | 145.8, 145.8, 37.9 | 79.8, 95.2, 113 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 90 |
| Resolution (Å) | 47.62 – 1.55 (1.63 – 1.55) | 47.74 - 1.89 (2.0 - 1.89) | 29.54 – 2.61 (2.67 – 2.61) |
| Rmeas (%)a,b | 4.9 (56.9) | 12.3 (198.4) | 10.5 (117) |
| No. of unique reflectionsb | 68481 (9923) | 36784 (5212) | 26553 (1559) |
| Average I/σI | 24.8 (4.2) | 14.3 (1.4) | 16.1 (1.1) |
| CC (1/2) | 100 (92.2) | 99.9 (79.6) | 99.8 (49) |
| Multiplicityb | 11.2 (10.9) | 20.2 (19.3) | 10.6 (3.8) |
| Completeness (%)b | 99.9 (99.0) | 99.7 (97.7) | 98.3 (79.6) |
| Wilson B-factor | 24.9 | 35.6 | 63.4 |
| Rwork/Rfree(%)c, d | 16.9/19.3 | 18.9/22.7 | 20.5/24.5 |
| Average B-factor (Å2) | 20.2 | 28.3 | 35.7 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.026 | 0.021 | 0.012 |
| Bond angles (°) | 2.715 | 2.150 | 1.607 |
| No. Atoms (except H) | |||
| Protein | 2778 | 2752 | 5293 |
| Water | 305 | 105 | 29 |
| Residues in allowed regions | 100 | 98.6 | 98.7 |
| (%) of Ramachandran plot | |||
| PDB entry | 4WEM | 4WEN | 4WEU |
aRmeas = 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.
bStatistics for outer resolution shell are given in parenthesis.
cRwork = Σhkl ||Fobs | - |Fcalc|| / Σhkl |Fobs|.
dRfree is defined as above but calculated for 5% of randomly chosen reflections that were excluded from the refinement.