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 |