2ZYB
Crystal structure of phenylimidazo pyrazin 2 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL32B2 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2003-01-01 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.150, 73.973, 92.857 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.550 |
| R-factor | 0.18336 |
| Rwork | 0.171 |
| R-free | 0.29127 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lck |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.662 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.510 | 2.690 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.101 | 0.211 |
| Number of reflections | 9965 | |
| <I/σ(I)> | 11.8 | 5.9 |
| Completeness [%] | 98.5 | 96.6 |
| Redundancy | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2M (NH4)2SO4, 0.1M Sodium cacodylate, 30% PEG8000, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
