5INH
Crystal structure of Autotaxin/ENPP2 with a covalent fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.358, 80.745, 76.480 |
| Unit cell angles | 90.00, 102.86, 90.00 |
Refinement procedure
| Resolution | 44.510 - 1.840 |
| R-factor | 0.17424 |
| Rwork | 0.172 |
| R-free | 0.20697 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.506 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 58671 | |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 97.4 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M sodium acetate (pH 4.5-5.5), 0.9 M LiCl2, 0.2 M ZnCl2, and 23-25% PEG 3350 |
