2HK5
Hck Kinase in Complex with Lck targetted Inhibitor PG-1009247
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 65 |
| Unit cell lengths | 96.977, 96.977, 69.998 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.900 - 2.000 |
| R-factor | 0.2 |
| Rwork | 0.198 |
| R-free | 0.25020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Hck internal |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.483 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 4.580 | 2.000 |
| Rmerge | 0.177 | 0.083 | 0.754 |
| Number of reflections | 23300 | ||
| <I/σ(I)> | 4.5 | ||
| Completeness [%] | 91.5 | 95.2 | 66.9 |
| Redundancy | 3.8 | 4.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 288 | 0.5-3.0M Ammonium Sulfate or Sodium Formate or 18 - 28% PEG 10K + 0.1M HEPES or Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
