4KS8
PAK6 kinase domain in complex with sunitinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-18 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.616, 60.099, 99.979 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.460 - 1.950 |
R-factor | 0.22026 |
Rwork | 0.218 |
R-free | 0.26099 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ks7 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.337 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 22562 | |
<I/σ(I)> | 17.47 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.8 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 30% (v/v) isopropanol, 0.1M MES, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |