7JY4
hALK in complex with ((1S,2S)-1-(2,4-difluorophenyl)-2-(2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)cyclopropyl)methanamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.479, 56.747, 103.568 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.980 - 2.420 |
R-factor | 0.221 |
Rwork | 0.219 |
R-free | 0.25540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4z55 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.589 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.1_3865) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.980 | 2.506 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.099 | 0.750 |
Number of reflections | 11973 | 1105 |
<I/σ(I)> | 16.2 | 1.5 |
Completeness [%] | 98.4 | |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18.25% PEG 3350, 2% Tacsimate pH 7.0, 0.09M Tris Cl, 0.01M Tris_base |