Table 2. Data collection and refinement statistics of BC2L-C-ct crystal structure.
| native | |
| Data collection statistics | |
| Beamline | ID14-1 |
| Unit cell (Å) | a = b = 100.81c = 47.313 |
| Spacegroup | P65 |
| Wavelength (Å) | 0.934 |
| Resolution limit (Å) | 50.38–1.90 (2.00–1.90)* |
| Total observations | 136740 |
| Unique reflections | 21277 (2700) |
| Completeness | 97.5 (85.9) |
| Multiplicity | 6.4 (2.4) |
| <I>/<σI> | 11.3 (2.8) |
| Rmerge (%)b | 5.3 (21.1) |
| Wilson B-factor (Å2) | 17.69 |
| Refinement statistics | |
| Rcryst | 15.8% |
| Rfree | 19.9% |
| RMSD bonds | 0.015 |
| RMSD angles | 1.488 |
| Ramachandran's outliers | 2 |
| Protein atoms | 1795 |
| Water atoms | 286 |
| Other atoms | 10 |
| Overall B-factors | |
| Main chains | 16.6 |
| Side chains | 19.3 |
| Water atoms | 33.6 |
| PDB code | 2XR4 |
* Values in parenthesis refer to the highest resolution shell.
b
Rmerge = ∑|I−<I>|/|∑<I>|, Rcryst = (∑||Fobs – Fcalc||)/(∑||Fobs||).