3Q4U
Crystal structure of the ACVR1 kinase domain in complex with LDN-193189
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-20 |
| Detector | ADSC Q315 3x3 CCD |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.600, 98.700, 83.850 |
| Unit cell angles | 90.00, 117.42, 90.00 |
Refinement procedure
| Resolution | 37.220 - 1.820 |
| R-factor | 0.16557 |
| Rwork | 0.163 |
| R-free | 0.21863 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb id: 3h9r chain A |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.647 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.880 | 1.920 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.086 | 0.734 |
| Number of reflections | 107172 | |
| <I/σ(I)> | 11.6 | 2 |
| Completeness [%] | 99.2 | 97.8 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293.15 | 20% PEG 3350, 0.2M ammonium citrate dibasic pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K |
