3Q4T
Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dorsomorphin
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 | 2010-04-21 |
| Detector | ADSC Q315 3x3 CCD |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 110.100, 110.100, 206.911 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.470 - 1.960 |
| R-factor | 0.17124 |
| Rwork | 0.168 |
| R-free | 0.22301 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb id 2qlu |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.561 |
| 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] | 48.600 | 2.070 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.112 | 0.783 |
| Number of reflections | 53760 | |
| <I/σ(I)> | 11.2 | 2.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 293.15 | 28% PEG 3350, 0.2M LiSO4, 0.1M Tris, pH 8.8, 10% Ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K |
