5LIA
Crystal structure of murine autotaxin in complex with a small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.160, 61.580, 66.140 |
| Unit cell angles | 85.77, 72.68, 80.21 |
Refinement procedure
| Resolution | 50.000 - 1.920 |
| R-factor | 0.16191 |
| Rwork | 0.160 |
| R-free | 0.20115 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nkm |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.920 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.660 | 1.970 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.065 | 0.595 |
| Number of reflections | 67396 | |
| <I/σ(I)> | 11.1 | 2.2 |
| Completeness [%] | 97.2 | 96 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20-25% PEG3350, 0.5M KSCN, 0.2mM ZnSO4, 1% (w/v) polyvinylpyrrolidone K15 |
