5FTQ
Crystal structure of the ALK kinase domain in complex with Cmpd 17
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-06 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.254, 58.312, 104.882 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.960 - 1.700 |
R-factor | 0.17543 |
Rwork | 0.173 |
R-free | 0.21995 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xba |
RMSD bond length | 0.023 |
RMSD bond angle | 2.215 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.320 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.050 | 0.280 |
Number of reflections | 34703 | |
<I/σ(I)> | 19.6 | 4.1 |
Completeness [%] | 97.0 | 96.5 |
Redundancy | 4.2 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 18% PEG3350, 0.1 M TRIS/HCL PH 8.5 |