5S7G
XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035844b
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 | 128.601, 84.591, 89.928 |
| Unit cell angles | 90.00, 131.46, 90.00 |
Refinement procedure
| Resolution | 42.330 - 1.780 |
| R-factor | 0.2059 |
| Rwork | 0.204 |
| R-free | 0.25160 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6srh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.505 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.310 | 42.310 | 1.810 |
| High resolution limit [Å] | 1.780 | 4.830 | 1.780 |
| Rmerge | 0.100 | 0.039 | 3.312 |
| Number of reflections | 68405 | ||
| <I/σ(I)> | 9.3 | 43.7 | 0.3 |
| Completeness [%] | 100.0 | 100 | 100 |
| CC(1/2) | 1.000 | 1.000 | 0.330 |
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 |
