Table 1.
Data processing and refinement statistics.
| Data processing | Fce3–4 (1) | Fe3–4 (2) | Fce3–4 (3) | IgE-Fc |
|---|---|---|---|---|
| Structure name | P 1 | P 21 “large” | P 21 “small” | IgE-Fc |
| No. of molecules in asymmetric unit | 3 | 2 | 1 | 1 |
| Space group | P 1 | P 1 21 1 | P 1 21 1 | P 21 21 2 |
| Unit cell dimensions (Å) | a = 47.67 | a = 66.48 | a = 46.53 | a = 130.67 |
| b = 90.30 | b = 100.36 | b = 104.07 | b = 75.78 | |
| c = 92.91 | c = 77.86 | c = 52.94 | c = 79.82 | |
| a = 114.41° | ß = 97.35° | ß = 101.54° | ||
| ß = 90.63° | ||||
| ? = 96.10° | ||||
| Resolution (Å): overall (outer shell) | 81.61–2.20 | 100.36–2.00 | 51.87–2.26 | 79.82–1.75 |
| (2.25–2.20) | (2.05–2.00) | (2.33–2.26) | (1.80–1.75) | |
| Completeness (%)a | 98.9 (97.0) | 100 (100) | 99.9 (99.9) | 99.9 (99.8) |
| Multiplicitya | 5.7 (3.8) | 14 (8.8) | 4.1 (4.2) | 13.1 (11.4) |
| Mean ((I)/s(I))a | 7.5 (2.0) | 14 (1.6) | 5.9 (2.0) | 14.0 (1.3) |
| Rmergea | 0.13 (1.103) | 0.291 (2.218) | 0.130 (1.834) | 0.098 (1.982) |
| Rpima | 0.085 (0.899) | 0.069 (1.143) | 0.069 (1.000) | 0.028 (0.607) |
| CC1/2a | 0.997 (0.656) | 0.995 (0.651) | 0.993 (0.362) | 0.999 (0.495) |
| Wilson B-factor (Å2) | 43.66 | 32.92 | 46.51 | 25.10 |
| Refinement | Fce3–4 (1) | Fe3–4 (2) | Fce3–4 (3) | IgE-Fc |
| Rwork/Rfree (%)b | 21.34/23.36 | 20.24/22.60 | 20.15/23.56 | 19.73/23.23 |
| No. of reflections | 60,090 | 68,373 | 23,108 | 80,159 |
| RMSD: | ||||
| Bond lengths (Å) | 0.003 | 0.003 | 0.006 | 0.009 |
| Bond angles (°) | 0.591 | 0.619 | 0.767 | 0.944 |
| Coordinate error (Å) | 0.27 | 0.25 | 0.30 | 0.27 |
| No. of atoms: | ||||
| Protein | 8732 | 6358 | 2986 | 4933 |
| Carbohydrate | 346 | 263 | 122 | 144 |
| Solvent | 213 | 519 | 37 | 601 |
| Other | 73c | 33d | 50e | 72f |
| Ramachandran plot: | ||||
| Favoured (%) | 98.09 | 98.28 | 97.42 | 98.00 |
| Allowed (%) | 99.82 | 100 | 100 | 100 |
Values in parentheses are for the highest resolution shell.
Rfree set comprises 5% of reflections.
Ethylene glycol, polyethylene glycol, phosphate.
Ethylene glycol, polyethylene glycol.
Ethylene glycol, polyethylene glycol, sulphate.
Ethylene glycol, polyethylene glycol.