Table 1.
Refinement Statistics
| Aquaporin-4 | Bacteriorhodopsin | Aquaporin-0 | |
|---|---|---|---|
| Refinement statistics | |||
| Space group | P4212 | P3 | P422 |
| Unit cell dimensions (c assumed) (Å) | a = b = 69.0, c = 160 | a = b = 62.45, c = 100 | a = b = 65.5, c = 160 |
| Resolution range (Å) | 22.2–3.2 | 27.0–3.0 | 22.9–1.9 |
| Completeness (%) | 87.0 | 76.6 | 62.6 |
| Reflections used (working/free) | 5,654/337 | 6,349/487 | 16,007/1,748 |
| Rwork (%)a | 29.1 | 25.7 | 28.1 |
| Rfree (%)a | 34.6 | 30.8 | 33.6 |
| Average B-factors (Å2) | 43.6 | 39.2 | 29.7 |
| No. of residues | 222 | 222 | 218 |
| No. of refined atoms | 1,644 | 1,715 | 1,652 |
| R.m.s.d. from ideal geometry | |||
| Bond lengths (Å) | 0.009 | 0.009 | 0.011 |
| Bond angles (deg.) | 1.151 | 1.081 | 1.385 |
| Ramachandran statistics | |||
| Favored (%) | 79.1 | 93.2 | 82.6 |
| Allowed (%) | 20.9 | 6.8 | 17.4 |
| Disallowed (%) | 0 | 0 | 0 |
| Reported refinement statistics of previously determined structures | |||
| PDB accession code | 2D57 | 2AT9 | 2B6O |
| Rwork (%)a | 28.3 (28.5)b | 23.7 (32.0)b | 25.8 (29.9)b |
| Rfree (%)a | 33.8 (35.0)b | 33.0 (31.5)b | 29.9 (33.0)b |
| No. of refined atoms | 1,659 | 2,549 | 2,211 |
a
Rwork and Rfree were calculated from reflections in the working and the FreeR sets, respectively, according to: R-factor = Σ ||Fobs|−|Fcalc||/Σ |Fobs|
b
Number in parenthesis indicates the R-factor recalculated with only protein atoms (lipid, ligand, and water molecules were excluded) using the program Refmac