Table I.
Data Processing and Refinement Statistics for WzzE-LDAO
| Data collection | |
|---|---|
| Synchrotron beamline | 23ID-B at APS |
| a, b, c (Å); β(°)a | 276.8, 246.3, 133.2; 89.98 |
| wavelength(Å) | 0.97899 |
| resolution (Å)b | 50–6.00 (6.1–6.0) |
| observed hkl | 43,396 |
| unique hkl | 12,398 |
| redundancyb | 3.5 (2.8) |
| completeness (%)b | 97.2 (90.8) |
| Rsym | 8.4% |
| I/(σI)b | 14.9 (0.9) |
| Wilson B (Å2) | 258 |
| Refinement | |
| Twin operator | (-h, -k, l) |
| Twin ratio | 0.255 |
 (# hkl) |
0.23 |
 (# hkl) |
0.255 |
| Ramachandran plot | |
| Allowed (%) | 98.8 |
| Generous (%) | 1.0 |
| Disallowed (%) | 0.2 |
| RMSD | |
| Bonds (Å) | 0.012 |
| Angles (°) | 2.25 |
| PDB code | 4WL1 |
a
Pseudo orthorhombic Bravais lattice. Data reduction in orthorhombic space group gives very high Rsym.
b
Data for the highest resolution shell are given in parentheses. Rwork = (∑Fobs − Fcalc|)/∑Fobs.
cRsym = (∑|Iobs − Iavg|)/∑Iavg.