5S7H
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010914a
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 | 127.003, 84.785, 87.705 |
| Unit cell angles | 90.00, 130.96, 90.00 |
Refinement procedure
| Resolution | 66.240 - 1.300 |
| R-factor | 0.1579 |
| Rwork | 0.157 |
| R-free | 0.17990 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6srh |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.876 |
| 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] | 66.240 | 66.240 | 1.400 |
| High resolution limit [Å] | 1.300 | 4.190 | 1.330 |
| Rmerge | 0.058 | 0.031 | 1.053 |
| Rmeas | 0.063 | 0.034 | 1.284 |
| Rpim | 0.024 | 0.013 | 0.718 |
| Total number of observations | 762906 | 36089 | 14383 |
| Number of reflections | 126656 | ||
| <I/σ(I)> | 14.3 | 55 | 0.7 |
| Completeness [%] | 78.2 | 99.9 | 22.6 |
| Redundancy | 6 | 6.9 | 2.7 |
| CC(1/2) | 0.999 | 0.999 | 0.571 |
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 |
