TABLE 2.
X-ray data collection and refinement statistics
| Parameter | F005-126–H3 complexc |
|---|---|
| Data collection statistics | |
| Beamline | BL41XU |
| Wavelength (Å) | 1.00 |
| Space group | C2 |
| Unit cell dimensions | |
| a, b, c (Å) | 391.04, 241.17, 223.21 |
| α, β, γ (°) | 90.0, 123.62, 90.0 |
| Resolution (Å) | 40–4.0 (4.25–4.00) |
| Observations | 554,887 |
| No. of unique reflections | 142,111 (23,528) |
| Redundancy | 3.9 (3.9) |
| Completeness (%) | 98.0 (98.1) |
| CC 1/2a (%) | 99.9 (27.1) |
| Avg I/σI | 6.4 (1.26) |
| Rmerge | 0.23 (2.09) |
| Z ac | 12 |
| Refinement statistics | |
| Resolution range (Å) | 40–4.0 |
| Rwork (free) | 0.31 (0.33) |
| No. of atoms | |
| Protein | 85,260 |
| Carbohydrate | 2,664 |
| Water | 0 |
| B-factor | |
| Protein | 170 |
| Carbohydrate | 196 |
| RMSDb | |
| Bond length (Å) | 0.004 |
| Bond angle (°) | 1.02 |
| Ramachandran plot (%) | |
| Favored regions | 93.9 |
| Outliers | 0.9 |
| PDB ID | 3WHE |
a
CC 1/2, percentage of correlation between intensities from random half-datasets (60).
b
RMSD, root mean square deviation.
c
Numbers in parentheses denote outer-shell statistics.