Table 1. Data collection and refinement statistics for Fab 13G10 and 14H7.
| Data collection | Fab13G10 | Fab14H7 |
| Space group | C2 | P21 |
| Number of molecules in the asymmetric unit | 1 | 8 |
| unit cell | a = 55.8 Å, b = 62.7 Å, c = 113.5 Å | a = 56.2 Å, b = 228.2 Å, c = 146.6 Å |
| α = 90, β = 91.7°, γ = 90° | α = 90, β = 90.1°, γ = 90° | |
| resolution | 25–2.05 Å | 20–2.55 Å |
| (outer resolution shell) | 2.09–2.05 Å | 2.64–2.55 Å |
| unique reflections | 23580 | 111576 |
| completeness* | 93.7% (91.4%) | 93.7% (87.8%) |
| mean I/sigma* | 23.7 (4.6) | 7.4 (2.1) |
| Rsym * | 0.037 (0.19) | 0.109 (0.51) |
| redundancy* | 2.5 (2.1) | 1.2 (1.2) |
| Refinement statistics | ||
| resolution | 20.0–2.05 | 20.0–2.45 |
| protein residues | 425 | 3356 |
| water molecules | 188 | 359 |
| glycerol molecules | 3 | – |
| Mg2+ molecule | 1 | – |
| Rcryst | 0.224 | 0.279 |
| Rfree ‡ | 0.275 | 0.328 |
| Deviations from ideal geometry (rms) | ||
| bond length deviation (Å) | 0.008 | 0.003 |
| bond angle deviation (°) | 1.52 | 0.75 |
| B values | ||
| Average B value of protein atoms (Å2) | 49.0 | 46.5 |
| Average B value of water molecules (Å2) | 51.1 | 25.5 |
| Average B value of glycerol (Å2) | 76.3 | – |
| B value of Mg2+ (Å2) | 45.0 | – |
| Ramachandran plot | ||
| Most favored (%) | 86.1 | 79.6 |
| Additionally allowed (%) | 11.4 | 17.5 |
| Generously allowed (%) | 1.1 | 1.4 |
| Disallowed (%) | 1.4 | 1.5 |
*
Values for highest-resolution shell are given in parentheses.
‡
4.5% and 4.7% of the data were set aside for the Rfree calculation during the entire refinement.