5L0B
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 | 2011-07-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97931 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 182.827, 96.733, 136.284 |
| Unit cell angles | 90.00, 112.86, 90.00 |
Refinement procedure
| Resolution | 19.610 - 2.410 |
| R-factor | 0.1764 |
| Rwork | 0.176 |
| R-free | 0.20900 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.764 | 46.764 | 2.520 |
| High resolution limit [Å] | 2.410 | 8.350 | 2.410 |
| Rmerge | 0.086 | 0.539 | |
| Rmeas | 0.144 | ||
| Rpim | 0.073 | ||
| Total number of observations | 323103 | ||
| Number of reflections | 84537 | ||
| <I/σ(I)> | 6.3 | 4.4 | 1.3 |
| Completeness [%] | 99.9 | 96.6 | 100 |
| Redundancy | 3.8 | 3.4 | 3.8 |
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 |
