5TDP
Crystal structure of the Fab fragment of anti-HER2 antibody 4D5 with redesigned heavy and light chain interfaces
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 | 2014-09-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.038, 79.746, 85.738 |
| Unit cell angles | 113.78, 93.07, 102.41 |
Refinement procedure
| Resolution | 43.705 - 1.716 |
| R-factor | 0.2218 |
| Rwork | 0.220 |
| R-free | 0.25160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fve |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.095 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX (1.9_1692) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.705 | 1.780 |
| High resolution limit [Å] | 1.716 | 1.720 |
| Rmerge | 0.084 | 0.487 |
| Number of reflections | 92819 | |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 95.5 | 94.6 |
| Redundancy | 3.1 | 3.1 |
| CC(1/2) | 0.757 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 20% PEG3,350, 0.04 M Citrate, 0.06 M BTP, pH6.4 |
