5L0E
Crystal Structure of Autotaxin and Compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-05 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.175, 96.838, 136.917 |
| Unit cell angles | 90.00, 112.82, 90.00 |
Refinement procedure
| Resolution | 19.980 - 3.060 |
| R-factor | 0.1833 |
| Rwork | 0.183 |
| R-free | 0.21140 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.771 | 51.771 | 3.200 |
| High resolution limit [Å] | 3.060 | 10.600 | 3.060 |
| Rmerge | 0.106 | 0.489 | |
| Number of reflections | 39961 | ||
| <I/σ(I)> | 6.2 | 4.2 | 1.3 |
| Completeness [%] | 95.0 | 95.4 | 90.8 |
| Redundancy | 3.7 | 3.4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 14% PEG 10,000, 0.2M Ammonium Acetate, and 0.1M Tris pH 8.5 |
