5S85
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000884c
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 | 127.244, 84.784, 87.860 |
| Unit cell angles | 90.00, 131.09, 90.00 |
Refinement procedure
| Resolution | 66.220 - 1.330 |
| R-factor | 0.1619 |
| Rwork | 0.161 |
| R-free | 0.18250 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6srh |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.792 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.230 | 1.350 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.047 | 1.140 |
| Rmeas | 0.051 | 1.497 |
| Rpim | 0.020 | 0.955 |
| Total number of observations | 657654 | 40069 |
| Number of reflections | 120155 | 1072 |
| <I/σ(I)> | 16.6 | 0.6 |
| Completeness [%] | 80.3 | 13.5 |
| Redundancy | 6.3 | 1.9 |
| CC(1/2) | 1.000 | 0.244 |
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 |
