Table 7.
X-ray crystallographic data and refinement statistics.
| IgG1σ Fc | IgG4σ1 Fc | IgG4σ2 Fc | |
|---|---|---|---|
| Crystal Data | |||
| Space group | P212121 | P212121 | P212121 |
| Unit cell parameters | |||
| a, b, c (Å) | 73.36, 79.17, 101.44 | 74.74, 78.39, 97.39 | 74.52, 78.47, 97.51 |
| α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 |
| Resolution (Å) | 50.00–1.90 (1.95–1.90) a | 50.00–1.90 (1.95–1.90) | 50.0–1.85 (1.90–1.85) |
| Measured reflections | 256,516 (19,366) | 248,644 (18,842) | 363,451 (27,057) |
| Unique reflections | 47,175 (3427) | 45,491 (3348) | 49,481 (3648) |
| Completeness (%) | 99.7 (99.7) | 99.4 (99.9) | 99.9 (100.0) |
| Redundancy | 5.4 (5.7) | 5.5 (5.6) | 7.3 (7.4) |
| Rmerge b | 0.041 (0.539) | 0.045 (0.588) | 0.056 (0.670) |
| <I/σ> c | 21.3 (2.9) | 18.6 (2.8) | 19.8 (3.0) |
| Refinement Statistics | |||
| Resolution (Å) | 33.28–1.90 | 32.70–1.90 | 47.26–1.85 |
| Number of reflections | 47,088 | 45,473 | 49,469 |
| Rwork (%) d | 19.2 | 18.2 | 18.1 |
| Rfree (%) d | 22.9 | 22.5 | 21.5 |
| Number atoms | 3772 | 3771 | 3897 |
| Protein | 3292 | 3320 | 3404 |
| Carbohydrate | 220 | 220 | 210 |
| Solvent | 260 | 231 | 283 |
| Mean B-factor (Å2) | 41.9 | 45.9 | 40.0 |
| Protein | 40.4 | 43.7 | 37.9 |
| Carbohydrate | 58.5 | 75.7 | 66.2 |
| Solvent | 46.4 | 50.0 | 45.9 |
| RMSD e | |||
| Bond lengths (Å) | 0.009 | 0.012 | 0.018 |
| Bond angles (°) | 1.213 | 1.438 | 1.699 |
| Ramachandran | |||
| Favored (%) | 98.1 | 98.8 | 98.1 |
| Allowed (%) | 1.9 | 1.2 | 1.9 |
| Outliers (%) | 0.0 | 0.0 | 0.0 |
a Values for high resolution shell are shown in parentheses. b Rmerge = ΣhklΣi(|<Ihkl> − Ihkl,i|)/ΣhklΣi Ihkl,I, where hkl enumerates the unique reflections and i their symmetry-equivalent or multiply-measured contributors. I is the intensity for a given measurement. c <I/σ> is the average x-ray reflection intensity (I) measurement divided by the standard deviation of that measurement (σ) for the whole X-ray data set. d R = (Σhkl ||Fobs(hkl)| – |Fcalc(hkl)||)/(Σhkl |Fobs(hkl)|), where Fobs(hkl) and Fcalc(hkl) are the observed and calculated structure factors. Rwork includes structure factors for the entire data set minus those data sequestered for computing Rfree. Rfree includes only the latter randomly chosen subset of the data. e RMSD (Root Mean Square Deviation) in the table describes how well the atomic bond distances and angles compare to idealized values determined from a set of reference structures.