6JUX
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-05 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 58.870, 86.790, 140.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.700 - 1.750 |
R-factor | 0.1955 |
Rwork | 0.194 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mtf |
Data reduction software | XDS (VERSION Jan 26, 2018 BUILT=20180409) |
Data scaling software | XDS (VERSION Jan 26, 2018 BUILT=20180409) |
Phasing software | MOLREP (Vers 11.6.03) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.700 | 1.840 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.076 | 1.840 |
Rmeas | 0.082 | 1.996 |
Number of reflections | 36528 | 11565 |
<I/σ(I)> | 14.61 | 1.01 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 13.33 | 6.66 |
CC(1/2) | 0.999 | 0.631 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES, 1.5 M Ammonium sulfate |