5S7X
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000376d
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 | 127.106, 84.549, 87.723 |
| Unit cell angles | 90.00, 130.91, 90.00 |
Refinement procedure
| Resolution | 66.290 - 1.300 |
| R-factor | 0.1512 |
| Rwork | 0.150 |
| R-free | 0.16910 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6srh |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.983 |
| 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] | 67.000 | 63.490 | 1.370 |
| High resolution limit [Å] | 1.300 | 4.120 | 1.300 |
| Rmerge | 0.041 | 0.034 | 0.463 |
| Rmeas | 0.045 | 0.037 | 0.581 |
| Rpim | 0.017 | 0.014 | 0.343 |
| Total number of observations | 758267 | 37496 | 7598 |
| Number of reflections | 126919 | ||
| <I/σ(I)> | 21.6 | 65 | 1.3 |
| Completeness [%] | 74.1 | 99.9 | 13.9 |
| Redundancy | 6 | 6.7 | 2.2 |
| CC(1/2) | 0.999 | 0.998 | 0.807 |
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 |
