6Y5M
Crystal structure of mouse Autotaxin in complex with compound 1a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.99998 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.257, 61.199, 67.827 |
| Unit cell angles | 87.55, 73.05, 80.76 |
Refinement procedure
| Resolution | 57.890 - 2.011 |
| R-factor | 0.1664 |
| Rwork | 0.165 |
| R-free | 0.19470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nkm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.920 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7 (6-FEB-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.890 | 2.083 |
| High resolution limit [Å] | 2.011 | 2.011 |
| Number of reflections | 56903 | 5750 |
| <I/σ(I)> | 5.43 | 2.35 |
| Completeness [%] | 92.0 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.998 | 0.938 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 3,350 , 0.2M Lithium Nitrate |
