7MFH
Crystal structure of BIO-32546 bound mouse Autotaxin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2021-03-27 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 |
Unit cell lengths | 61.020, 61.620, 67.320 |
Unit cell angles | 89.07, 74.20, 79.88 |
Refinement procedure
Resolution | 46.130 - 2.300 |
R-factor | 0.2176 |
Rwork | 0.215 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nkm |
RMSD bond length | 0.003 |
RMSD bond angle | 0.606 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.130 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.080 | 0.880 |
Number of reflections | 40464 | 4035 |
<I/σ(I)> | 7.7 | |
Completeness [%] | 98.0 | |
Redundancy | 2.7 | |
CC(1/2) | 0.990 | 0.560 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.2M ammonium iodide, 0.1M sodium iodide, 28% PEG3350 |