7P0K
Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand
This is a non-PDB format compatible entry.
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 | 2019-06-15 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.999998 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.570, 87.149, 145.361 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.568 - 2.200 |
Rwork | 0.212 |
R-free | 0.27080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xr9 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.337 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.450 | 48.450 | 2.270 |
High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
Rmerge | 0.193 | 0.106 | 1.029 |
Rmeas | 0.234 | 0.125 | 1.248 |
Rpim | 0.130 | 0.066 | 0.694 |
Number of reflections | 39684 | 624 | 3416 |
<I/σ(I)> | 4.6 | ||
Completeness [%] | 98.4 | ||
Redundancy | 5.4 | 5.4 | 5.3 |
CC(1/2) | 0.977 | 0.983 | 0.656 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG3350, NaSCN, NH4I |