9EU5
SSX structure of Autotaxin at room temperature
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 295 |
Detector technology | PIXEL |
Collection date | 2022-09-20 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.873 |
Spacegroup name | P 1 |
Unit cell lengths | 54.510, 61.190, 65.010 |
Unit cell angles | 102.57, 99.13, 93.67 |
Refinement procedure
Resolution | 62.450 - 3.000 |
R-factor | 0.2273 |
Rwork | 0.225 |
R-free | 0.28090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.588 |
Data reduction software | CrystFEL (v.0.10.1) |
Data scaling software | CrystFEL |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.450 | 3.100 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 16129 | 16122 |
<I/σ(I)> | 4.3 | 1.79 |
Completeness [%] | 100.0 | 99.89 |
Redundancy | 66.35 | 43.6 |
CC(1/2) | 0.870 | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18-22% (m/v) PEG3350, 0.1-0.3 M NH4I and 0.1-0.3 M NaSCN |