Table 1.
Statistics of X-ray diffraction data collection and structural refinement.
| LAIR1-RIFIN.V2 PF3D7_1040300 (RIF1) (NH4)2PtCl4 |
LAIR1-RIFIN.V2 PF3D7_0401300 (RIF3) |
MGC34 Fab | MGD21 Fab | |
|---|---|---|---|---|
| PDB accession code | 7JZI | 7JZK | 7JZ1 | 7JZ4 |
| Data collection | ||||
| Wavelength | 1.072 | 1 | 1 | 1 |
| Resolution range (Å) | 50-2.70 (2.75-2.70) | 50-2.45 (2.49-2.45) | 50-3.35 (3.47-3.35) | 50-2.75 (2.80-2.75) |
| Space group | C 2 | C 2 | P 65 2 2 | P 21 |
| Cell dimensions | ||||
| a, b, c (Å) | 144.4, 72.2, 57.9 | 87.1, 95.8, 71.8 | 101.4, 101.4, 319.9 | 80.9, 81.1, 111.6 |
| α, β, γ (°) | 90, 91.1, 90 | 90, 104, 90 | 90, 90, 120 | 90, 94, 90 |
| Unique reflections | 16105 (1480) | 19253 (1854) | 14543 (1399) | 37566 (3513) |
| Multiplicity | 7.2 (5.6) | 3.0 (2.7) | 4.3 (3.7) | 3.8 (3.8) |
| Completeness (%) | 98.8 (94.6) | 92.3 (93.9) | 99.7 (100.0) | 99.9 (99.5) |
| I / σI | 42.7 (1.8) | 14.1 (2.0) | 9.2 (1.1) | 16.1 (1.8) |
| Wilson B-factor | 88.80 | 43.17 | 110.38 | 69.04 |
| Rmerge | 0.070 (0.593) | 0.104 (0.423) | 0.177 (0.784) | 0.103 (0.872) |
| CC1/2 | 0.900 | 0.855 | 0.603 | 0.641 |
| Refinement | ||||
| Reflections used in refinement | 16092 (1479) | 19219 (1847) | 14536 (1399) | 37552 (3511) |
| Reflections used for R-free | 1612 (152) | 914 (81) | 687 (62) | 1844 (172) |
| Rwork | 0.22 (0.38) | 0.21 (0.27) | 0.24 (0.32) | 0.20 (0.31) |
| Rfree | 0.26 (0.40) | 0.26 (0.33) | 0.26 (0.29) | 0.25 (0.35) |
| Number of non-H atoms | 3430 | 3468 | 4276 | 8516 |
| macromolecules | 3417 | 3371 | 4276 | 8453 |
| ligands | 2 | 39 | 53 | |
| solvent | 11 | 58 | 10 | |
| Protein residues | 450 | 442 | 564 | 1109 |
| RMS(bonds) (Å) | 0.008 | 0.010 | 0.005 | 0.005 |
| RMS(angles) (°) | 1.41 | 1.47 | 0.97 | 0.91 |
| Ramachandran favored (%) | 98. 41 | 99.54 | 93.39 | 95.43 |
| Ramachandran outliers (%) | 0.00 | 0.23 | 0.00 | 0.00 |
| Average B-factor (Å2) | 111.11 | 54.57 | 107.84 | 82.22 |
| macromolecules | 111.03 | 53.86 | 107.84 | 81.79 |
| ligands | 276.68 | 117.73 | 154.29 | |
| solvent | 106.01 | 53.32 | 60.89 | |
Values in parentheses are for highest-resolution shell.