5S7L
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010943a
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 | 127.153, 84.790, 88.006 |
| Unit cell angles | 90.00, 131.08, 90.00 |
Refinement procedure
| Resolution | 47.970 - 1.360 |
| R-factor | 0.1668 |
| Rwork | 0.166 |
| R-free | 0.18810 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6srh |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.818 |
| 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] | 63.540 | 63.540 | 1.430 |
| High resolution limit [Å] | 1.350 | 4.280 | 1.350 |
| Rmerge | 0.059 | 0.026 | 1.560 |
| Rmeas | 0.064 | 0.028 | 1.860 |
| Rpim | 0.025 | 0.011 | 0.991 |
| Total number of observations | 767469 | 34001 | 22661 |
| Number of reflections | 127143 | ||
| <I/σ(I)> | 13.4 | 61.6 | 0.5 |
| Completeness [%] | 83.4 | 100 | 32.5 |
| Redundancy | 6 | 6.9 | 3.1 |
| CC(1/2) | 0.999 | 0.999 | 0.445 |
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 |
