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 |