3BBT
crystal structure of the ErbB4 kinase in complex with lapatinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-08-25 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.97893 |
| Spacegroup name | P 61 |
| Unit cell lengths | 102.682, 102.682, 185.124 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.640 - 2.800 |
| R-factor | 0.253 |
| Rwork | 0.251 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.349 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 6.020 | 2.800 |
| Rmerge | 0.062 | 0.034 | 0.514 |
| Number of reflections | 27122 | ||
| <I/σ(I)> | 14.8 | ||
| Completeness [%] | 99.9 | 99.8 | 99.6 |
| Redundancy | 4.8 | 4.8 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 4.3 M NaCl, 0.1 M Hepes, pH 7.0, 2% trifluoroethanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
