5S8A
XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074484b
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 | 127.217, 84.858, 88.090 |
| Unit cell angles | 90.00, 130.97, 90.00 |
Refinement procedure
| Resolution | 48.070 - 1.300 |
| R-factor | 0.1577 |
| Rwork | 0.157 |
| R-free | 0.17890 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6srh |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.837 |
| 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] | 66.520 | 66.520 | 1.370 |
| High resolution limit [Å] | 1.300 | 4.120 | 1.300 |
| Rmerge | 0.058 | 0.026 | 1.573 |
| Rmeas | 0.063 | 0.028 | 1.971 |
| Rpim | 0.024 | 0.011 | 1.161 |
| Total number of observations | 769831 | 38642 | 7593 |
| Number of reflections | 126180 | ||
| <I/σ(I)> | 14 | 59.4 | 0.4 |
| Completeness [%] | 73.7 | 99.8 | 13.6 |
| Redundancy | 6.1 | 6.9 | 2.2 |
| CC(1/2) | 0.999 | 0.999 | 0.420 |
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 |
