6UNS
Kinase domain of ALK2-K492A/K493A with LDN-193189
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-06-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.1111 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 60.000, 83.641, 137.972 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.750 - 2.300 |
R-factor | 0.2148 |
Rwork | 0.212 |
R-free | 0.26180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q4u |
RMSD bond length | 0.008 |
RMSD bond angle | 0.999 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.750 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.290 | 2.343 |
Rmeas | 0.314 | 2.527 |
Rpim | 0.120 | 0.942 |
Number of reflections | 31655 | 3042 |
<I/σ(I)> | 8.5 | 1.7 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 12.8 | 13.5 |
CC(1/2) | 0.996 | 0.632 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.05 M PIPES pH 7, 0.01 M DTT, 10 %w/v PEG 4000 |