Table 2.
X-ray Diffraction Data Collection and Refinement Statistics
| rHBeAgd-scFv e13 PDB 6CVK | rHBcAgd-scFv e13 PDB 6CWD | rHBcAgd-Fab e21 PDB 6CWT | |
|---|---|---|---|
|
| |||
| Data Collection | |||
|
| |||
| Beamline | APS 22-ID-D | APS 22-ID-D | APS 22-ID-D |
|
| |||
| Wavelength | 1.0 | 1.0 | 1.0 |
|
| |||
| Space Group | P21 | C2 | C2 |
|
| |||
| Cell dimensions | |||
| a, b, c (Å) | 46.5, 192.1, 65.0 | 219.4, 65.1, 148.2 | 238.4, 66.5, 104.2 |
| α, β, γ (°) | 90.0, 99.0, 90.0 | 90.0, 101. 7, 90.0 | 90.0, 110.3, 90.0 |
|
| |||
| Resolution (Å) | 20.00-2.38 (2.48-2.38) * | 19.92-3.33 (3.45-3.33) | 39.98-3.15 (3.21-3.15) |
|
| |||
| Multiplicity | 5.1 (5.2) | 2.1 (2.1) | 6.4 (5.1) |
|
| |||
| Completeness (%) | 100.0 (100.0) | 98.6 (99.5) | 97.2 (82.7) |
|
| |||
| I/σ | 10.3 (2.4) | 5.0 (1.5) | 12.9 (1.9) |
|
| |||
| R-meas | 0.16 (1.20) | 0.25 (0.82) | 0.18 (1.45) |
|
| |||
| CC1/2 | 0.99 (0.59) | 0.96 (0.67) | 0.94 (0.67) |
|
| |||
| No. of unique reflections | 44849 (4459) | 30123 (3029) | 26112 (2196) |
|
| |||
| Refinement | |||
|
| |||
| Resolution (Å) | 20.00-2.38 | 19.92-3.33 | 39.98-3.15 |
|
| |||
| No. reflections used in refinement | 44851 (4460) | 30118 (3029) | 26052 (2190) |
|
| |||
| Rwork/Rfree | 0.1745/0.2196 | 0.2424/0.2821 | 0.2305/0.2831 |
|
| |||
| No. atoms | |||
| Protein/Water | 5896/266 | 10853/0 | 8078/0 |
|
| |||
| B-factors | |||
| Protein/Water | 48.2/51.6 | 57.5 | 120.4 |
|
| |||
| RMS deviations Bond lengths (Å) and angles (°) | 0.015/1.33 | 0.005/0.96 | 0.003/0.82 |
|
| |||
| Ramachandran (%) favored/allowed/outliers | 96.6/3.0/0.4 | 91.3/8.1/0.6 | 90.2/9.1/0.7 |
*
Statistics for the highest-resolution shell are shown in parenthesis.