8R7G
Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234
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 | 2021-06-30 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.818, 100.594, 83.584 |
| Unit cell angles | 90.00, 118.13, 90.00 |
Refinement procedure
| Resolution | 73.710 - 2.090 |
| R-factor | 0.2281 |
| Rwork | 0.227 |
| R-free | 0.25330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.778 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.710 | 2.161 |
| High resolution limit [Å] | 2.086 | 2.086 |
| Number of reflections | 71743 | 6977 |
| <I/σ(I)> | 11.71 | 0.82 |
| Completeness [%] | 99.7 | |
| Redundancy | 2 | |
| CC(1/2) | 0.999 | 0.395 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 277 | 5% PEG1000, 40% ethanol, 0.1M citrate pH 4.2 |
