2R4B
ErbB4 kinase domain complexed with a thienopyrimidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2002-04-25 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 |
| Unit cell lengths | 63.872, 63.872, 163.607 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.890 - 2.400 |
| R-factor | 0.20857 |
| Rwork | 0.206 |
| R-free | 0.26344 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fgk |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.175 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.890 | 2.463 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.088 | 0.530 |
| Number of reflections | 22901 | |
| <I/σ(I)> | 27 | 2 |
| Completeness [%] | 94.4 | 47 |
| Redundancy | 4.3 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 50mM Sodium cacodylate, 100mM amonium acetate, 10mM magnesium acetate, 30% PEG8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
