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 |