Table 1.
Data collection and refinement statistics
| R303C33A/C102A | R303C33A/C102A‐ InlB249 | |
|---|---|---|
| Data collection | ||
| Diffraction source | CLS 08ID‐1 | CLS 08ID‐1 |
| Wavelength (Å) | 0.9795 | 0.9795 |
| Resolution range (Å) | 34.28–1.30 (1.35–1.30) | 51.19–1.56 (1.62–1.56) |
| Space group | P212121 | P43 |
|
Unit cell (a,b,c) (α,β,γ) |
47.28 47.39 99.34 90 90 90 |
83.21 83.21 64.93 90 90 90 |
| Total reflections | 253,689 (26010) | 384,394 (22476) |
| Unique reflections | 53,995 (5298) | 62,665 (5837) |
| Multiplicity | 4.7 (4.9) | 6.1 (3.9) |
| Completeness (%) | 96.86 (95.87) | 99.24 (93.12) |
| Mean I/σI | 15.28 (4.51) | 13.48 (1.60) |
| R merge | 0.050 (0.337) | 0.068 (0.589) |
| Refinement and model quality | ||
| R work/R Free | 0.16/0.18 | 0.17/0.20 |
| Number of non‐H atoms | ||
| Protein | 1867 | 2,519 |
| Ions | 15 | 0 |
| Solvent | 301 | 404 |
| R.m.s. bonds (Å) | 0.02 | 0.011 |
| R.m.s angles (°) | 1.62 | 1.00 |
| Ramachandran plot | ||
| Favored (%) | 98.31 | 95.95 |
| Allowed (%) | 1.69 | 4.05 |
| Outliers (%) | 0 | 0 |
| Average B‐factor | ||
| Protein | 17.52 | 28.13 |
| Ions | 42.79 | N/A |
| Solvent | 30.26 | 41.27 |
| PDB code | http://bioinformatics.org/firstglance/fgij//fg.htm?mol=6U14 | http://bioinformatics.org/firstglance/fgij//fg.htm?mol=6U12 |