TABLE 1.
Summary of the AsbB crystallographic data
| Data collection | |
|---|---|
| Space group | P212121 |
| Unit cell (Å) | a = 64.26 |
| b = 155.92 | |
| c = 156.24 | |
| Wavelength(Å) | 0.9793 |
| Highest resolution bin (Å) | 2.44–2.40 |
| Number of observed reflections | 62971 (3081) |
| Rsym(%)a | 9.0 (63.1)cb |
| Completeness (%) | 99.8 (100) |
| I/sI | 10.8 (3.2)b |
| Phasing | |
| Method | SAD |
| Phasing resolution range (Å) | 49.6-2.40 |
| Figure of merit/phasing power | 0.26/1.29 |
| Number of SeMet | 26 |
| Refinement | |
| Resolution range (Å) | 49.6-2.40 |
| Rcryst (%) | 17.4 |
| Rfree (%) | 22.7 |
| Number of protein residues | 1232 |
| Solvent molecules | 324 |
| Bond lengths (Å) | 0.012 |
| Bond angles (degree) | 1.49 |
| Dihedral angles (degree) | 17.2 |
| B-factors (Å2) | 59.8 |
| Protein main chain | 55.5 |
| Protein side chain | 62.2 |
| Others (water, ADP, Ethylene glycol) | 59.6 |
| Wilson B-factor (Å2) | 50.9 |
| Ramachandran Plot (%)b | |
| Preferred | 96.4 |
| Generously allowed | 3.1 |
| Disallowed | 0.5 |
| PDB ID | 3TO3 |
a Rmerge = (ΣhklΣi|Ii − 〈I〉|)/(ΣhklΣi|〈I〉|), where Ii is the intensity for the ith measurement of an equivalent reflection with indices h, k, and l.
b Numbers in parentheses are values for the highest resolution bin.
c Defined in Coot.