5IJS
Crystal structure of autotaxin with orthovanadate bound as a trigonal bipyramidal intermediate analog
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 | 2010-10-01 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 |
Unit cell lengths | 53.750, 63.450, 70.550 |
Unit cell angles | 99.33, 105.91, 99.51 |
Refinement procedure
Resolution | 40.000 - 2.200 |
R-factor | 0.2043 |
Rwork | 0.203 |
R-free | 0.23910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dlt |
RMSD bond length | 0.007 |
RMSD bond angle | 1.231 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (refmac_5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.116 | 0.825 |
Number of reflections | 39503 | |
<I/σ(I)> | 4.9 | 1.4 |
Completeness [%] | 90.2 | 90.7 |
Redundancy | 1.6 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | Protein buffer: 4.5 mg/ml autotaxin, incubated with 1 mM orthovanadate, 20 mM hepes pH 7.4, 150 mM NaCl Crystallisation condition: 18% (w/v) PEG3350, 0.2 M NH4I, 0.4M NaSCN |