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 |