5IJQ
Crystal structure of autotaxin (ENPP2) re-refined
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.283 |
Spacegroup name | P 1 |
Unit cell lengths | 53.808, 63.289, 70.471 |
Unit cell angles | 98.78, 106.22, 99.77 |
Refinement procedure
Resolution | 20.000 - 2.050 |
R-factor | 0.1562 |
Rwork | 0.154 |
R-free | 0.19740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gsn |
RMSD bond length | 0.008 |
RMSD bond angle | 1.360 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (refmac_5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.100 | 0.380 |
Number of reflections | 52153 | |
<I/σ(I)> | 13.9 | 2.49 |
Completeness [%] | 96.8 | 93.9 |
Redundancy | 4.8 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | Protein buffer: 3.5-5.0 mg/ml autotaxin in 50 mM Tris pH 8.0 and 150 mM NaCl Crystallization condition: 20% PEG 3350, 0.2 M ammonium iodide, 0.3 M sodium thiocyanate |