5S7O
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM007391c
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 | 127.167, 84.834, 88.284 |
| Unit cell angles | 90.00, 130.95, 90.00 |
Refinement procedure
| Resolution | 63.660 - 1.430 |
| R-factor | 0.1653 |
| Rwork | 0.164 |
| R-free | 0.18870 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6srh |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.763 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.660 | 66.660 | 1.530 |
| High resolution limit [Å] | 1.430 | 4.600 | 1.450 |
| Rmerge | 0.106 | 0.040 | 1.694 |
| Rmeas | 0.115 | 0.043 | 1.940 |
| Rpim | 0.044 | 0.016 | 0.922 |
| Total number of observations | 734226 | 27372 | 45690 |
| Number of reflections | 114287 | ||
| <I/σ(I)> | 11.1 | 38.6 | 0.9 |
| Completeness [%] | 92.2 | 100 | 61.7 |
| Redundancy | 6.4 | 6.8 | 4.1 |
| CC(1/2) | 0.998 | 0.998 | 0.464 |
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 |
