3APV
Crystal structure of the A variant of human alpha1-acid glycoprotein and amitriptyline complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 66.650, 45.948, 120.732 |
| Unit cell angles | 90.00, 92.14, 90.00 |
Refinement procedure
| Resolution | 36.310 - 2.150 |
| R-factor | 0.22183 |
| Rwork | 0.219 |
| R-free | 0.26712 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3apu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.445 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.059 | 0.177 |
| Number of reflections | 20082 | |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 98.8 | 93.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 30% PEG 4000, 0.2M ammonium sulfate, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
