5U6B
Structure of the Axl kinase domain in complex with a macrocyclic inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.680, 100.704, 81.921 |
| Unit cell angles | 90.00, 93.97, 90.00 |
Refinement procedure
| Resolution | 59.810 - 2.840 |
| R-factor | 0.212 |
| Rwork | 0.211 |
| R-free | 0.23900 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.000 | 2.990 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Rmerge | 0.565 | |
| Number of reflections | 31278 | |
| <I/σ(I)> | 12 | 2.4 |
| Completeness [%] | 99.3 | 99.8 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 1.2 microL of the protein-ligand complex (1:3 ratio of protein:ligand) and 1.2 microL of the reservoir solution (0.1 M Tris, pH 8.5, 0.2 M MgCl2, 30 % (w/v) PEG-4000, 1-2 % (v/v) 1-butanol). |
