3MY0
Crystal structure of the ACVRL1 (ALK1) kinase domain bound to LDN-193189
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-04-15 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9779 |
| Spacegroup name | P 32 |
| Unit cell lengths | 118.770, 118.770, 510.791 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 58.990 - 2.650 |
| R-factor | 0.2091 |
| Rwork | 0.207 |
| R-free | 0.24707 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h9r |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.270 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.990 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.153 | 0.593 |
| Number of reflections | 233740 | |
| <I/σ(I)> | 7.8 | 2 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 4.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 16% PEG 3350, 0.2M Na/K PO4, 5% ethylene glycol, 2% glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K |
