5S75
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010913a
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 | 127.489, 84.711, 88.084 |
| Unit cell angles | 90.00, 131.02, 90.00 |
Refinement procedure
| Resolution | 48.140 - 1.300 |
| R-factor | 0.1559 |
| Rwork | 0.155 |
| R-free | 0.17290 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6srh |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.919 |
| 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] | 63.570 | 63.570 | 1.370 |
| High resolution limit [Å] | 1.300 | 4.110 | 1.300 |
| Rmerge | 0.035 | 0.026 | 0.502 |
| Rmeas | 0.038 | 0.029 | 0.625 |
| Rpim | 0.015 | 0.012 | 0.363 |
| Total number of observations | 767633 | 36839 | 7378 |
| Number of reflections | 126014 | ||
| <I/σ(I)> | 25.3 | 79.6 | 1.3 |
| Completeness [%] | 72.8 | 99.8 | 13 |
| Redundancy | 6.1 | 6.6 | 2.3 |
| CC(1/2) | 0.999 | 0.999 | 0.778 |
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 |
