6UNQ
Kinase domain of ALK2-K493A with AMPPNP
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 | 2018-11-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.1111 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 59.464, 86.862, 138.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.070 - 2.400 |
R-factor | 0.2209 |
Rwork | 0.218 |
R-free | 0.28260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q4u |
RMSD bond length | 0.008 |
RMSD bond angle | 1.118 |
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] | 49.070 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.027 | 0.123 |
Rmeas | 0.034 | 0.159 |
Rpim | 0.021 | 0.099 |
Number of reflections | 14236 | 1478 |
<I/σ(I)> | 20.9 | 5.2 |
Completeness [%] | 99.3 | 99.5 |
Redundancy | 3.6 | 3.4 |
CC(1/2) | 0.999 | 0.987 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M MES 6.5 pH, 20 %v/v Ethylene glycol, 7 %w/v PEG 8000 |