1S78
Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-11-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 139.412, 139.412, 356.873 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 3.250 |
R-factor | 0.22655 |
Rwork | 0.224 |
R-free | 0.26772 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Rat ErbB2 extracellular domain (PDB code 1N8Y) and uncomplexed pertuzumab Fab (PDB code 1L7I) |
RMSD bond length | 0.009 |
RMSD bond angle | 1.273 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.370 |
High resolution limit [Å] | 3.250 | 3.250 |
Rmerge | 0.116 | 0.691 |
Number of reflections | 56351 | |
<I/σ(I)> | 19.3 | 3.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 8.2 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG 3350, ammonium formate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |