5S77
XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035133b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.258, 84.773, 88.029 |
| Unit cell angles | 90.00, 130.97, 90.00 |
Refinement procedure
| Resolution | 66.470 - 1.310 |
| R-factor | 0.1656 |
| Rwork | 0.165 |
| R-free | 0.18510 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6srh |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.828 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.460 | 66.460 | 1.410 |
| High resolution limit [Å] | 1.310 | 4.230 | 1.340 |
| Rmerge | 0.069 | 0.039 | 1.262 |
| Rmeas | 0.075 | 0.042 | 1.516 |
| Rpim | 0.029 | 0.016 | 0.820 |
| Total number of observations | 770735 | 35174 | 17781 |
| Number of reflections | 126970 | ||
| <I/σ(I)> | 12.9 | 44.4 | 0.6 |
| Completeness [%] | 80.1 | 99.9 | 26.3 |
| Redundancy | 6.1 | 6.8 | 3 |
| CC(1/2) | 0.999 | 0.998 | 0.452 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate |
