5LQQ
Structure of Autotaxin (ENPP2) with LM350
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 | 2016-05-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97925 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.655, 89.067, 77.509 |
| Unit cell angles | 90.00, 102.88, 90.00 |
Refinement procedure
| Resolution | 46.000 - 2.400 |
| R-factor | 0.2194 |
| Rwork | 0.217 |
| R-free | 0.26210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xr9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.207 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.26) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | REFMAC (refmac_5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.000 | 46.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
| Rmerge | 0.074 | 0.023 | 0.655 |
| Rmeas | 0.090 | ||
| Rpim | 0.050 | ||
| Total number of observations | 98094 | ||
| Number of reflections | 32432 | ||
| <I/σ(I)> | 12.9 | ||
| Completeness [%] | 99.6 | 98.8 | 99.4 |
| Redundancy | 3 | 3.1 | 3 |
| CC(1/2) | 0.998 | 0.999 | 0.784 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 22% PEG 3350, NH4I (0.2M), NaSCN (0.1M) |
