3WAY
Crystal Structure of Autotaxin in Complex with 4BoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-12 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.556, 94.524, 75.242 |
| Unit cell angles | 90.00, 93.98, 90.00 |
Refinement procedure
| Resolution | 49.234 - 1.746 |
| R-factor | 0.1829 |
| Rwork | 0.181 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nkm |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.657 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.746 |
| Number of reflections | 85267 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 23% PEG3350, 0.15M NaCl, 0.5M KSCN, 0.2mM ZnSO4, 1% polyvinylpyrrolidone, vapor diffusion, sitting drop, temperature 293K |
