Table 1. Data collection and refinement statistics of the crystallography of HypBA2.
| Data set | SeMet protein (33–1154) | Native protein (33–894) |
|---|---|---|
| Data collection a | ||
| Beamline | NW12A | BL1A |
| Wavelength (Å) | 0.9791 | 1.1000 |
| Space group | P212121 | P212121 |
| Unit cell (Å) | a = 76.10, b = 100.60, c = 141.16 | a = 81.53, b = 88.62, c = 127.92 |
| Resolution (Å) | 50.0–2.20 | 44.31–1.85 |
| (2.24–2.20) | (1.89–1.85) | |
| Total reflections | 1,641,170 | 542,053 |
| Unique reflections | 106,306 (5,342) | 79,741 (4,473) |
| Completeness (%) | 100.0 (100.0) | 100.0 (100.0) |
| Multiplicity | 29.4 (29.0) | 6.8 (7.0) |
| Mean I/σ(I)b | 28.6 (4.4) | 9.1 (1.3) |
| Rmerge | 0.119 (0.667) | 0.123 (1.405) |
| CC1/2 | 0.981 (0.928) | 0.940 (0.634) |
| Anomalous completeness (%) | 100.0 (100.0) | |
| Anomalous multiplicity | 15.4 (15.0) | |
| Refinement | ||
| Resolution (Å) | 44.35–1.85 | |
| No. of reflections | 75,729 | |
| Rwork/Rfree | 0.158/0.185 | |
| Number of atoms | 7,337 | |
| RMSD from ideal values | ||
| Bond lengths (Å) | 0.011 | |
| Bond angles (°) | 1.633 | |
| Ramachandran plot (%) | ||
| Favored/allowed/outlier | 97.4/2.5/0.1 | |
| PDB code | 6M5A |
aValues in parentheses are for the highest resolution shell.