8UWR
Crystal structure of human ACVR1 (ALK2) kinase in complex with compound 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-11-15 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 51.610, 66.360, 162.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.040 |
| R-factor | 0.21439 |
| Rwork | 0.211 |
| R-free | 0.28071 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.610 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.150 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmeas | 0.148 | 0.703 |
| Number of reflections | 16767 | 2500 |
| <I/σ(I)> | 4.8 | 1.2 |
| Completeness [%] | 93.0 | 95.8 |
| Redundancy | 2.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.5 M Ammonium Sulphate, 0.1 M Sodium Citrate, pH 5.6 |
