Table 1. Data-collection and refinement statistics for the hC5a-A8, mC5a and mC5a-desArg structures.
Values in parentheses are for the highest resolution shell.
| Human C5a-A87173 | Mouse C5a | Mouse C5a-desArg | |
|---|---|---|---|
| Data-collection statistics | |||
| X-ray source | X06SA, SLS | 911-3, MAX-lab | 911-3, MAX-lab |
| Wavelength () | 1.000 | 0.9792 | 1.000 |
| Space group | C2221 | P43 | P43 |
| Unit-cell parameters () | |||
| a | 69.35 | 54.95 | 55.21 |
| b | 83.24 | 54.95 | 55.21 |
| c | 119.22 | 117.43 | 117.43 |
| Resolution () | 502.4 (2.52.4) | 501.4 (1.51.4) | 502.1 (2.22.1) |
| Unique reflections | 13812 (1541) | 68172 (12739) | 20489 (2655) |
| Completeness (%) | 99.6 (98.5) | 99.8 (99.8) | 99.9 (100) |
| Multiplicity | 6.2 (6.1) | 4.2 (4.1) | 6.4 (6.4) |
| R meas(I)† (%) | 8.8 (60.4) | 7.3 (84.9) | 12.3 (72.2) |
| I/(I) | 17.07 (3.81) | 15.10 (2.33) | 14.62 (2.95) |
| Mosaicity‡ () | 0.17 | 0.13 | 0.12 |
| Wilson B ‡ (2) | 60 | 20 | 30 |
| Refinement statistics | |||
| Resolution () | 492.4 | 371.4 | 332.1 |
| Unique reflections | 13432 | 68165 | 20350 |
| R work (%) | 22.36 | 14.42 | 18.03 |
| R free (%) | 23.77 | 17.40 | 22.41 |
| Model in the asymmetric unit (No. of atoms) | |||
| Protein | 2143 | 2212 | 2212 |
| Ligands | 48 | 45 | |
| Water | 22 | 333 | 204 |
| Root-mean-square deviations | |||
| Bonds () | 0.002 | 0.008 | 0.003 |
| Angles () | 0.463 | 1.198 | 0.711 |
| Average B values (2) | |||
| Protein | 68 | 19 | 35 |
| Ligands | 61 | 29 | 41 |
| Ramachandran plot§ (%) | |||
| Favoured | 99.6 | 100 | 98.9 |
| Allowed | 0.4 | 0 | 1.1 |
| Outliers | 0 | 0 | 0 |
†
R
meas(I) = 
.
‡
Value given by XDS.
§
Values given by MolProbity.