5S80
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010946a
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 | 126.907, 84.648, 87.762 |
| Unit cell angles | 90.00, 131.03, 90.00 |
Refinement procedure
| Resolution | 66.210 - 1.670 |
| R-factor | 0.1972 |
| Rwork | 0.196 |
| R-free | 0.23050 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6srh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.553 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.210 | 66.210 | 1.760 |
| High resolution limit [Å] | 1.670 | 5.290 | 1.670 |
| Rmerge | 0.250 | 0.060 | 3.790 |
| Rmeas | 0.271 | 0.065 | 4.091 |
| Rpim | 0.102 | 0.025 | 1.527 |
| Total number of observations | 563706 | 17800 | 83394 |
| Number of reflections | 80611 | ||
| <I/σ(I)> | 6.1 | 23.5 | 0.6 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 7 | 6.8 | 7.1 |
| CC(1/2) | 0.995 | 0.998 | 0.402 |
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 |
