Table 4.
Data collection and refinement statistics.
| Protein | PfGRP78-NBD |
|---|---|
| Ligand (actual) | ADP + Mg |
| PDB id | 5UMB |
| DATA COLLECTION | |
| Beamline | 08ID-1 Canadian Light Source Inc. (CLS) |
| Wavelength (Å) | 0.97949 |
| Space group | P 1 21 1 |
| No. of molecules in asymmetric unit | 4 |
| Unit cell parameters (Å, °) | a = 84.53, b = 112.26, c = 93.16 and β = 90.13° |
| Resolution (Å) | 48.08–2.30 (2.44–2.30) |
| No. of measured reflections | 259355 (41781) |
| No. of unique reflections | 76738 (12297) |
| Completeness (%) | 99.5 (99.2) |
| Wilson B factor (Å2) | 33.03 |
| Friedel redundancy | 3.38 (3.40) |
| Rmerge (%) | 14.0 (62.6) |
| Average I/σI | 7.19 (2.13) |
| REFINEMENT | |
| Resolution (Å) | 48.08–2.30 |
| Rwork/Rfree (%) | 22.7/26.5 |
| No. of atoms | |
| Protein | 11815 |
| Ligand/ion | 132 |
| Water | 490 |
| Ligand RSCC (%) | 96.3 |
| Average B factors (Å 2 ) | |
| Protein | 33.42 |
| Ligand/ion | 23.34 |
| Water | 26.22 |
| RMSD bond length (Å) | 0.016 |
| RMSD bond angle (°) | 1.9° |
| Ramachandran analysis | |
| Favored (%) | 98 |
| Outliers [number] (%) | 0 [3] |