5S7T
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010926a
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 | 127.583, 84.736, 88.529 |
| Unit cell angles | 90.00, 131.23, 90.00 |
Refinement procedure
| Resolution | 66.580 - 1.300 |
| R-factor | 0.1552 |
| Rwork | 0.154 |
| R-free | 0.17380 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6srh |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.978 |
| 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] | 66.590 | 66.590 | 1.390 |
| High resolution limit [Å] | 1.320 | 4.160 | 1.320 |
| Rmerge | 0.040 | 0.023 | 1.144 |
| Rmeas | 0.044 | 0.025 | 1.409 |
| Rpim | 0.017 | 0.010 | 0.803 |
| Total number of observations | 737017 | 36706 | 11464 |
| Number of reflections | 125525 | ||
| <I/σ(I)> | 18.7 | 77.2 | 0.6 |
| Completeness [%] | 75.0 | 99.8 | 18.8 |
| Redundancy | 5.9 | 6.8 | 2.5 |
| CC(1/2) | 1.000 | 0.999 | 0.543 |
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 |
