Table 1.
Additional crystallographic parameters for DdahB and MlghB
| Parameter measured | DdahB | MlghB | DdahB GDP-mannose |
MlghB GDP-mannose |
|---|---|---|---|---|
| Data collection | ||||
| Space group | P21 | P212121 | P21 | P212121 |
| Wavelength | 0.916 | 0.916 | 1.54 | 1.54 |
| Unit cell dimensions | ||||
| a, b, c (Å) | 47.8, 68.3, 53.7 | 47.3, 121.7, 153.8 | 48.0, 67.8, 53.1 | 42.4, 121.9, 154.1 |
| α, β, γ (°) | 90, 91.4, 90 | 90, 90, 90 | 90, 91.8, 90 | 90, 90, 90 |
| Resolution (Å)a | 34–1.3 (1.32–1.30) | 95–2.14 (2.20–2.14) | 53–2.35 (2.43–2.35) | 56.7–2.60 (2.67–2.60) |
| Rmergea | 0.047 (0.57) | 0.06 (0.76) | 0.061 (0.169) | 0.162 (0.669) |
| I/σIa | 13.9 (1.2) | 12.7 (1.1) | 16.3 (6.1) | 12.5 (3.5) |
| CC1/2a | 1.0 (0.7) | 1.0 (0.5) | 1 (0.9) | 1.0 (0.8) |
| Completenessa | 95 (73) | 100 (100) | 98 (89) | 99 (92) |
| Redundancya | 2.7 (1.4) | 5.9 (4.2) | 3.6 (2.7) | 7.0 (6.8) |
| Refinement | ||||
| Resolution (Å)a | 34–1.3 (1.32–1.30) | 95–2.1 (2.18–2.14) | 39–2.35 (2.43–2.35) | 57–2.60 (2.67–2.60) |
| Reflectionsa | 76,397 (4400) | 41,762 (2944) | 13,466 (879) | 23,972 (1611) |
| Rwork/Rfree %a | 14.8/17.5 (31.7/30.1) | 21.6/23.9 (42.1/42.4) | 18.5/24.3 (19.4/31.5) | 21.0/23.5 (29.4/34.3) |
| No. of atoms | ||||
| Protein | 2742 | 5648 | 2742 | 5858 |
| Water | 46 | 67 | 46 | 8 |
| Ligands | - | - | 67 | 112 |
| Residual B factors (Å2) | ||||
| Protein | 21 | 64 | 22 | 2326 |
| Water | 48 | 46 | 11 | 16 |
| Ligand | - | - | 45 | 47 |
| RMSD | ||||
| Bond lengths (Å) | 0.013 | 0.010 | 0.007 | 0.010 |
| Bond angles (°) | 1.6 | 1.4 | 1.3 | 1.6 |
| Ramachandran | ||||
| Favored (%) | 98 | 99 | 98 | 99 |
| Outliers (%) | 0 | 0 | 0 | 0 |
| 7ANI | 7ANG | 7ANJ | 7AN4 |
a
Values in parenthesis are for the highest shell.