6LEH
Crystal structure of Autotaxin in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-22 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.507, 94.145, 75.556 |
| Unit cell angles | 90.00, 93.92, 90.00 |
Refinement procedure
| Resolution | 47.073 - 2.000 |
| R-factor | 0.1917 |
| Rwork | 0.189 |
| R-free | 0.23680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nkm |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.073 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.042 | 0.607 |
| Number of reflections | 58034 | 4306 |
| <I/σ(I)> | 12.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20-25% PEG 3350, 0.15mM NaCl, 0.5M KSCN, 0.2mM ZnSO4, 1% polyvinylpyrrolidone, 0.2mM inhibitor |
