Crystallographic processing and refinement statistics for S. lividans DtpAa variants. Values in parenthesis are for the highest resolution shell.
| Y345F | Y345F/F347Y | Y345F/F347Y/Y389F | |
|---|---|---|---|
| Space group | P21 | P21 | P21 |
| Unit cell (Å) | a = 72.02, b = 67.79, c = 73.02, β = 105.66° | a = 71.04, b = 68.13, c = 73.05, β = 105.42° | a = 71.85, b = 67.93, c = 74.48, β = 105.46° |
| Resolution (Å) | 70.31–1.23 | 70.42–1.27 | 58.26–1.50 |
| Outer shell (Å) | 1.25–1.23 | 1.29–1.27 | 1.53–1.50 |
| Number of reflections | 191 401 (7298) | 174 878 (8482) | 110 533 (5452) |
| R merge | 0.093 (0.94) | 0.066 (1.519) | 0.078 (1.34) |
| R pim | 0.070 (0.84) | 0.036 (0.93) | 0.049 (0.84) |
| Mn(I/sd) | 8.2 (1.6) | 9.0 (0.6) | 10.9 (1.1) |
| CC1/2 | 0.996 (0.36) | 0.999 (0.34) | 0.999 (0.558) |
| Completeness (%) | 97.8 (75.8) | 99.0 (83.0) | 100 (100) |
| Redundancy | 4.8 (2.8) | 5.0 (3.7) | 6.9 (6.9) |
| R work | 0.133 | 0.152 | 0.161 |
| R free | 0.159 | 0.193 | 0.189 |
| RMSD bond lengths (Å) | 0.011 | 0.014 | 0.015 |
| RMSD bond angles (°) | 1.748 | 1.842 | 2.005 |
| Ramachandran most favoured (%) | 97 | 96 | 97 |
| PDB accession code | 8OLH | 8OLP | 8OMC |