Table 1.
Data collection and refinement statistics.
| Complex | BMPR2-ADP |
|---|---|
| PDB accession code | 3G2F |
| Synchrotron beamline | SLS, PX10 |
| Wavelength (Å) | 1.0000 |
| Spacegroup | P21212 |
| Unit cell dimensions |
a = 94.5, b = 218.8, c = 44.2 Å α = β = γ = 90.0° |
| Resolution rangea (Å) | 47.35–2.35 (2.47–2.35) |
| No. unique reflectionsa | 39,590 (5,694) |
| Completenessa (%) | 100.0 (100.0) |
| I/σIa | 8.5 (2.1) |
| Rmergea (%) | 12.0 (67.7) |
| Redundancya | 5.5 (5.5) |
| Refinement | |
| No. Protein atoms in refinement | 4934 |
| No. Heteroatoms, organic solvent and water | 204 |
| Rfact (%) | 20.8 |
| Rfree (%) | 24.7 |
| Bf protein (Å2) | 25 |
| Bf ligand (Å2) | 35 |
| rms deviation bond lengthb (Å) | 0.010 |
| rms deviation bond angleb (°) | 1.30 |
| Molprobity | |
| Ramachandran favour | 94.8% |
| Ramachandran allowed | 100.0% |
aValues in brackets show the statistics for the highest resolution shell.
brms indicates root-mean-square.