8C7R
Crystal structure of rat autotaxin and compound MEY-003
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 |
Unit cell lengths | 53.529, 61.843, 63.850 |
Unit cell angles | 104.01, 98.43, 93.27 |
Refinement procedure
Resolution | 43.640 - 2.530 |
R-factor | 0.2088 |
Rwork | 0.205 |
R-free | 0.25380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.907 |
Data reduction software | XDS (VERSION Feb 5, 2021 BUILT=20210323) |
Data scaling software | Aimless (Version 0.7.7) |
Phasing software | PHASER (version 2.1.2) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.640 | 2.573 |
High resolution limit [Å] | 2.530 | 2.530 |
Number of reflections | 25651 | 1302 |
<I/σ(I)> | 6.7 | |
Completeness [%] | 98.2 | |
Redundancy | 3.4 | |
CC(1/2) | 0.993 | 0.852 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 18-22% (m/v) PEG3350, 0.1-0.3 M NH4I and 0.1-0.3 M NaSCN |