5OLB
crystal structure of autotaxin in complex with PF-8380
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-17 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 124.734, 100.045, 78.778 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.650 - 1.820 |
| R-factor | 0.172 |
| Rwork | 0.172 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nkm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS ((VERSION March 30, 2013) |
| Data scaling software | Aimless ((version 0.3.6)) |
| Phasing software | PHENIX (1.9) |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.890 | 1.821 |
| High resolution limit [Å] | 1.815 | 1.815 |
| Rmerge | 0.067 | 0.489 |
| Number of reflections | 85362 | |
| <I/σ(I)> | 11.1 | 2.1 |
| Completeness [%] | 95.3 | 98.6 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 21% (w/v) PEG6000 ; 0.20 M CaCl2 ; 0.10 M MES pH 6.25 |
